SCHEMBL8985342

SCHEMBL8985342

O=C(O)c1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)s1

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.83
PTGS2 P35354 6/20 0.58
PTGS1 P23219 3/20 0.58
OPRD1 P41143 1/20 0.51
NOTUM Q6P988 2/20 0.48
KDM4E B2RXH2 1/20 0.46
MT-CO1 P00395 1/20 0.46
MT-CO2 P00403 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
BCL2L1 Q07817 1/20 0.44
BAD Q92934 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
SCHEMBL5253265 0.91 MAPK14 (1.00) MAPK14PTGS2PTGS1
SCHEMBL8985288 0.89 MAPK14 (0.67) MAPK14PTGS2PTGS1OPRD1NOTUM
SCHEMBL8985510 0.89 MAPK14 (0.67) MAPK14PTGS2PTGS1OPRD1NOTUM
SCHEMBL8985362 0.89 OPRD1 (0.71) MAPK14PTGS2PTGS1OPRD1KDM4E
SCHEMBL8985520 0.87 MAPK14 (0.66) MAPK14PTGS2PTGS1OPRD1
SCHEMBL8985490 0.87 PTGS2 (0.67) MAPK14PTGS2PTGS1KDM4EMT-CO1
SCHEMBL7620139 0.87 PTGS2 (0.78) MAPK14PTGS2PTGS1KDM4EMT-CO1
SCHEMBL9672158 0.86 MAPK14 (0.64) MAPK14PTGS2PTGS1OPRD1NOTUM
SCHEMBL8985310 0.85 MAPK14 (0.63) MAPK14PTGS2PTGS1OPRD1NOTUM
SCHEMBL8985516 0.85 MAPK14 (0.83) MAPK14PTGS2PTGS1OPRD1KDM4E

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