SCHEMBL8160050

SCHEMBL8160050

CC(O)(O)Oc1ccc(S(=O)(=O)[O-])cc1.[Na+]

nearest known ligand 0.41

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 1/20 0.35
CA2 known ✓ P00918 1/20 0.35
ELANE P08246 2/20 0.41
DUSP5 Q16690 1/20 0.40
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD11B1 P28845 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
PKM P14618 3/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
MMP1 P03956 2/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP13 P45452 2/20 0.35
MMP8 P22894 1/20 0.35
GAA P10253 1/20 0.35
PPARA Q07869 3/20 0.35
MEN1 O00255 3/20 0.34

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
SCHEMBL10903272 0.84 ELANE (0.56) ELANETDP1HSD11B1ALDH1A1SMN1; SMN2
SCHEMBL5484008 0.84 LMNA (0.41) ELANEDUSP5LMNATDP1ALDH1A1
SCHEMBL15511871 0.78 PPARA (0.41) ELANELMNAALDH1A1MAPTPOLB
SCHEMBL14875137 0.76 FFAR4 (0.49) SMN1; SMN2MMP1MMP2MMP9
SCHEMBL7183393 0.74 ELANE (0.74) ELANE
SCHEMBL10497942 0.73 PKM (0.67) ALDH1A1PKMMMP1MMP2MMP9
SCHEMBL14875133 0.72 TRPV1 (0.40) LMNATDP1ALDH1A1MMP2MMP9
SCHEMBL19953365 0.71 LMNA (0.55) DUSP5LMNATDP1ALDH1A1POLB
SCHEMBL65265 0.71 MAPT (0.71) ELANELMNATDP1ALDH1A1SMN1; SMN2
SCHEMBL26910 0.70 MEN1 (0.55) ELANELMNAALDH1A1MAPTCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0518703-B1 Sulfonated polyester resin compositions POLYPLASTICS CO (JP) 2000-01-26 EP disclosed
US-5300572-A Blend of polyester containing metal sulfonate group, olefin copolymer POLYPLASTICS CO., LTD. (JP) 1994-04-05 US disclosed
EP-0518703-A2 Sulfonated polyester resin compositions POLYPLASTICS CO. LTD. (JP) 1992-12-16 EP disclosed