SCHEMBL6656121

SCHEMBL6656121

CCOC(CCCCCCCCCCCOS(=O)(=O)[O-])OCC.[Na+]

nearest known ligand 0.59

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
CA1 known ✓ P00915 15/20 0.35
CA2 known ✓ P00918 15/20 0.35
CA12 known ✓ O43570 5/20 0.35
CA4 known ✓ P22748 4/20 0.35
RECQL P46063 2/20 0.59
TSHR P16473 2/20 0.59
GLA P06280 1/20 0.59
HPGD P15428 1/20 0.59
MAPK1 P28482 1/20 0.59
EPHX2 P34913 1/20 0.59
BLM P54132 1/20 0.59
CA9 Q16790 14/20 0.35
CA7 P43166 5/20 0.35
CA14 Q9ULX7 5/20 0.35
CA3 P07451 4/20 0.35
CA6 P23280 4/20 0.35
CA5A P35218 4/20 0.35
CA5B Q9Y2D0 4/20 0.35
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL6049577 0.80 TSHR (0.58) RECQLTSHRGLAHPGDMAPK1
SCHEMBL366628 0.78 RECQL (0.62) RECQLTSHRGLAHPGDMAPK1
SCHEMBL3366402 0.78 RECQL (0.62) RECQLTSHRGLAHPGDMAPK1
SCHEMBL345943 0.78 RECQL (0.62) RECQLTSHRGLAHPGDMAPK1
SCHEMBL28554168 0.78 RECQL (0.62) RECQLTSHRGLAHPGDMAPK1
SCHEMBL23573612 0.78 RECQL (0.62) RECQLTSHRGLAHPGDMAPK1
SCHEMBL1232123 0.78 RECQL (0.62) RECQLTSHRGLAHPGDMAPK1
SCHEMBL6234782 0.78 RECQL (0.62) RECQLTSHRGLAHPGDMAPK1
SCHEMBL453765 0.78 RECQL (0.62) RECQLTSHRGLAHPGDMAPK1
SCHEMBL346109 0.77 RECQL (0.61) RECQLTSHRGLAHPGDMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6786223-B2 COMPRISES FRAGRANCE, CARRIER, AND ETHYLENE OXIDE-PROPYLENE OXIDE BLOCK COPOLYMER SURFACTANT, FOR CLEANING BATHROOM FIXTURES S. C. JOHNSON & SON, INC. 2004-09-07 US disclosed
EP-1440139-A1 HARD SURFACE CLEANERS WHICH PROVIDE IMPROVED FRAGRANCE RETENTION PROPERTIES TO HARD SURFACES S. C. Johnson & Son, Inc. (US) 2004-07-28 EP disclosed
WO-2004011584-A1 HARD SURFACE CLEANERS WHICH PROVIDE IMPROVED FRAGRANCE RETENTION PROPERTIES TO HARD SURFACES S. C. JOHNSON & SON, INC. (US) 2004-02-05 WO disclosed
US-20030148913-A1 Hard surface cleaners which provide improved fragrance retention properties to hard surfaces S.C. JOHNSON & SON, INC. 2003-08-07 US disclosed