SCHEMBL8985185

SCHEMBL8985185

CCSc1ccc(-c2cc(C(C)=O)sc2-c2ccc(F)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.65
PTGS2 P35354 7/20 0.46
PTGS1 P23219 4/20 0.46
KDM4E B2RXH2 2/20 0.41
MT-CO1 P00395 1/20 0.41
MT-CO2 P00403 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
OPRD1 P41143 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL8985310 0.90 MAPK14 (0.63) MAPK14PTGS2PTGS1KDM4EMT-CO1
SCHEMBL8985559 0.87 MAPK14 (0.49) MAPK14PTGS2PTGS1KDM4EMT-CO1
SCHEMBL8985269 0.87 MAPK14 (0.49) MAPK14PTGS2PTGS1KDM4EMT-CO1
SCHEMBL8985516 0.87 MAPK14 (0.83) MAPK14PTGS2PTGS1KDM4EMT-CO1
SCHEMBL8985250 0.80 MAPK14 (0.73) MAPK14PTGS2PTGS1KDM4EMT-CO1
SCHEMBL8985481 0.80 MAPK14 (0.65) MAPK14PTGS2PTGS1KDM4EMT-CO1
SCHEMBL17542551 0.79 MAPK14 (1.00) MAPK14PTGS2PTGS1
SCHEMBL8985383 0.78 MAPK14 (0.70) MAPK14PTGS2PTGS1KDM4EOPRD1
SCHEMBL8985321 0.77 MAPK14 (0.68) MAPK14PTGS2PTGS1KDM4EMT-CO1
SCHEMBL9380019 0.76 MAPK14 (0.39) MAPK14PTGS2PTGS1KDM4EHPGD

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