SCHEMBL8985492

SCHEMBL8985492

CCC(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(OC)cc2)s1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.58
PTGS2 P35354 11/20 0.54
PTGS1 P23219 5/20 0.52
NTSR1 P30989 1/20 0.47
ATM Q13315 1/20 0.46
EP300 Q09472 1/20 0.46
MC4R P32245 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MT-CO1 P00395 1/20 0.44
MT-CO2 P00403 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL8985453 0.87 OPRD1 (0.62) OPRD1PTGS2PTGS1NTSR1ATM
SCHEMBL8985361 0.84 OPRD1 (0.62) OPRD1PTGS2PTGS1NTSR1ATM
SCHEMBL8985446 0.84 OPRD1 (0.58) OPRD1PTGS2PTGS1NTSR1ATM
SCHEMBL8985306 0.82 OPRD1 (0.60) OPRD1PTGS2PTGS1ATMEP300
SCHEMBL7899259 0.76 OPRD1 (0.81) OPRD1PTGS2PTGS1ATMEP300
SCHEMBL8985375 0.75 PTGS2 (0.64) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL7617599 0.75 PTGS2 (0.64) OPRD1PTGS2PTGS1KDM4EMT-CO1
Hydrochloric Acid SCHEMBL8985418 0.74 PTGS2 (0.54) OPRD1PTGS2PTGS1NTSR1ATM
SCHEMBL8985408 0.74 PTGS2 (0.52) OPRD1PTGS2PTGS1KDM4EMT-CO1
SCHEMBL8985337 0.74 PTGS2 (0.52) OPRD1PTGS2PTGS1KDM4EMT-CO1

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
US-5571810-A ANTIINFLAMMATORY AGENTS, ANALGESICS, COLLAGEN DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-05 US disclosed
EP-0593761-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed
WO-1991019708-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-26 WO disclosed