SCHEMBL8501464

SCHEMBL8501464

C=C(C)C(=O)C(=O)CCCS(=O)(=O)[O-].[Na+]

nearest known ligand 0.39

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 17)

geneUniProtsupporting neighboursconfidence
GMNN O75496 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
THPO P40225 1/20 0.39
HBB P68871 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BBOX1 O75936 2/20 0.36
EPHX2 P34913 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
ENPEP Q07075 1/20 0.32
CES1 P23141 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
SCHEMBL8503742 0.88 KDM4E (0.34) GMNNALDH1A1LMNATP53TSHR
SCHEMBL9510420 0.88 GMNN (0.41) GMNNALDH1A1LMNATP53TSHR
Potassium Ion SCHEMBL2121027 0.84 BBOX1 (0.39) GMNNALDH1A1LMNATP53TSHR
SCHEMBL9813622 0.79 GMNN (0.44) GMNNALDH1A1LMNATP53TSHR
Methacrylic Acid SCHEMBL28000398 0.79 TSHR (0.38) GMNNALDH1A1LMNATP53TSHR
SCHEMBL29398301 0.77 ALDH1A1 (0.46) GMNNALDH1A1LMNATP53TSHR
SCHEMBL9510740 0.75 KDM4E (0.37) GMNNALDH1A1LMNATP53TSHR
SCHEMBL7019166 0.74 PTGS1 (0.32) LMNA
SCHEMBL9813688 0.74 GMNN (0.43) GMNNALDH1A1LMNATP53TSHR
Methacrylic Acid SCHEMBL19376387 0.73 GMNN (0.39) GMNNALDH1A1LMNATP53TSHR

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-5886098-A Polyetheresteramide and antistatic resin composition SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-23 US disclosed
EP-0613919-B1 Polyetheresteramide and antistatic resin composition containing it SANYO CHEMICAL IND LTD (JP) 1997-10-29 EP disclosed
US-5604284-A CONTAINING ALKALI METAL OR ALKALINE EARTH METAL HALIDE SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1997-02-18 US disclosed
EP-0613919-A1 Polyetheresteramide and antistatic resin composition containing it SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1994-09-07 EP disclosed