SCHEMBL186677

SCHEMBL186677

O=S(=O)([O-])CCCOCC(O)CO.[Na+]

nearest known ligand 0.49

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.49
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GMNN O75496 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
THPO P40225 1/20 0.36
HBB P68871 1/20 0.36
PMP22 Q01453 1/20 0.36
ENPEP Q07075 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
HTT P42858 1/20 0.33
LPAR5 Q9H1C0 1/20 0.32
BBOX1 O75936 1/20 0.31
KDM4E B2RXH2 2/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
DUSP3 P51452 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1356117 0.89 USP2 (0.43) USP2LMNAALDH1A1TP53SMN1; SMN2
SCHEMBL515147 0.81 USP2 (0.52) USP2LMNAPLA2G2CHTTLPAR5
SCHEMBL186678 0.80 USP2 (0.50) USP2LMNAPLA2G2CHTTLPAR5
Sulfuric Acid SCHEMBL11758023 0.78 USP2 (0.77) USP2LMNATSHRMAPK1PLA2G2C
SCHEMBL7461538 0.76 USP2 (0.55) USP2LMNAPLA2G2CHTTLPAR5
SCHEMBL11042040 0.76 USP2 (0.75) USP2LMNAALDH1A1SMN1; SMN2PLA2G2C
SCHEMBL19640303 0.76 TSHR (0.52) LMNAALDH1A1TP53SMN1; SMN2GMNN
SCHEMBL101143 0.76 USP2 (0.68) USP2LMNAALDH1A1SMN1; SMN2PLA2G2C
SCHEMBL29257532 0.75 ENPEP (0.47) LMNAALDH1A1TP53SMN1; SMN2GMNN
SCHEMBL8532301 0.75 TSHR (0.43) LMNAALDH1A1TP53SMN1; SMN2GMNN

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210002441-A1 RESIN PARTICLES AND METHOD FOR PRODUCING SAME SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2021-01-07 US disclosed
US-9280074-B2 Toner binder and resin particle SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2016-03-08 US disclosed
US-20150274914-A1 RESIN PARTICLES AND METHOD FOR PRODUCING SAME SANYO CHEMICAL INDUSTRIES, LTD (JP) 2015-10-01 US disclosed
US-20140272699-A1 TONER BINDER AND RESIN PARTICLE SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2014-09-18 US disclosed
EP-2401658-B1 MAGENTA TONER CANON KK (JP) 2014-09-17 EP disclosed
EP-1788049-B1 THERMOSETTING AQUEOUS COATING COMPOSITION KANSAI PAINT CO LTD (JP) 2014-05-21 EP disclosed
EP-2256557-B1 TONER CANON KK (JP) 2014-05-07 EP disclosed
US-20140080051-A1 TONER AND METHOD FOR PRODUCING TONER RICOH COMPANY, LTD. (JP) 2014-03-20 US disclosed
US-8519027-B2 Aqueous amino resin dispersions and thermosetting water-based paint compositions KANSAI PAINT CO., LTD. (JP) 2013-08-27 US disclosed
EP-1754737-B1 POLYESTER RESIN AND THERMOSETTING AQUEOUS COATING COMPOSITION KANSAI PAINT CO LTD (JP) 2013-04-03 EP disclosed
US-20070237903-A1 Thermosetting Water-Based Coating Composition and Method of Forming Coating Film KANSAI PAINT CO., LTD (JP) 2007-10-11 US disclosed
EP-1350823-B1 Water based intercoat coating composition and multi-layer coating film-forming method by use of the same KANSAI PAINT CO LTD (JP) 2007-08-22 EP disclosed
EP-1788049-A1 THERMOSETTING AQUEOUS COATING COMPOSITION Kansai Paint Co., Ltd. (JP) 2007-05-23 EP disclosed
EP-1770135-A1 THERMOSETTING WATER-BASED COATING COMPOSITION AND METHOD OF FORMING COATING FILM Kansai Paint Co., Ltd. (JP) 2007-04-04 EP disclosed
EP-1754737-A1 POLYESTER RESIN AND THERMOSETTING AQUEOUS COATING COMPOSITION KANSAI PAINT CO., LTD. (JP) 2007-02-21 EP disclosed
US-7163979-B2 Water based intercoat coating composition and multi-layer coating film-forming method by use of the same KANSAI PAINT CO. LTD. (JP) 2007-01-16 US disclosed
US-20060135651-A1 Thermosetting water-based paint and coating film-forming methods KANSAI PAINT CO., LTD. (JP) 2006-06-22 US disclosed
US-20060135678-A1 Aqueous amino resin dispersions and thermosetting water-based paint compositions KANSAI PAINT CO., LTD. (JP) 2006-06-22 US disclosed
EP-1350823-A1 Water based intercoat coating composition and multi-layer coating film-forming method by use of the same Kansai Paint Co., Ltd (JP) 2003-10-08 EP disclosed
US-20030187125-A1 Water based intercoat coating composition and mulit-layer coating film-forming method by use of the same KANSAI PAINT CO., LTD. (JP) 2003-10-02 US disclosed