SCHEMBL8985362

SCHEMBL8985362

COc1ccc(-c2cc(C(=O)O)sc2-c2ccc(F)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.71
MAPK14 Q16539 7/20 0.67
PTGS1 P23219 2/20 0.58
PTGS2 P35354 1/20 0.58
KDM4E B2RXH2 2/20 0.49
GLA P06280 1/20 0.49
EP300 Q09472 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GSK3B P49841 1/20 0.45
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43

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
SCHEMBL7899259 0.93 OPRD1 (0.81) OPRD1MAPK14PTGS1PTGS2KDM4E
SCHEMBL8985383 0.89 MAPK14 (0.70) OPRD1MAPK14PTGS1PTGS2KDM4E
SCHEMBL8985342 0.89 MAPK14 (0.83) OPRD1MAPK14PTGS1PTGS2KDM4E
SCHEMBL8985276 0.86 OPRD1 (0.66) OPRD1MAPK14PTGS1PTGS2KDM4E
SCHEMBL8985484 0.86 OPRD1 (0.62) OPRD1MAPK14PTGS1PTGS2EP300
SCHEMBL1848218 0.85 OPRD1 (0.55) OPRD1MAPK14PTGS1PTGS2KDM4E
SCHEMBL8985273 0.84 OPRD1 (0.67) OPRD1MAPK14PTGS1PTGS2KDM4E
SCHEMBL8985409 0.84 MAPK14 (0.75) OPRD1MAPK14PTGS1PTGS2KDM4E
SCHEMBL8985288 0.81 MAPK14 (0.67) OPRD1MAPK14PTGS1PTGS2KDM4E
SCHEMBL8985510 0.81 MAPK14 (0.67) OPRD1MAPK14PTGS1PTGS2KDM4E

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