SCHEMBL8985444

SCHEMBL8985444

CSc1ccc(C(C=O)=C(Cl)c2ccc(F)cc2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TCF4 P15884 1/20 0.38
CTNNB1 P35222 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
MAPT P10636 2/20 0.33
NQO2 P16083 1/20 0.33
PTGS1 P23219 2/20 0.33
PPARG P37231 2/20 0.33
EGFR P00533 1/20 0.33
CYP1A2 P05177 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
DRD1 P21728 1/20 0.33
MAPK1 P28482 1/20 0.33
PTGS2 P35354 1/20 0.33
OPRM1 P35372 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33

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
SCHEMBL8985441 1.00 TCF4 (0.38) TCF4CTNNB1CES2CES1AKR1C3
SCHEMBL7627953 0.83 TCF4 (0.51) TCF4CTNNB1AKR1C3AKR1C2AKR1C1
SCHEMBL7620156 0.83 TCF4 (0.51) TCF4CTNNB1AKR1C3AKR1C2AKR1C1
SCHEMBL7620158 0.83 TCF4 (0.51) TCF4CTNNB1AKR1C3AKR1C2AKR1C1
SCHEMBL7814039 0.76 CES2 (0.50) CES2CES1CYP1A2PLK1
SCHEMBL7088183 0.75 CES2 (0.62) CES2CES1PLK1
SCHEMBL2159392 0.71 TCF4 (0.62) TCF4CTNNB1MAPTNQO2ADORA3
SCHEMBL1848235 0.71 TCF4 (0.62) TCF4CTNNB1MAPTNQO2ADORA3
SCHEMBL8094065 0.70 LMNA (0.40) AKR1C3AKR1C2AKR1C1MAPTPTGS1
SCHEMBL8094061 0.70 LMNA (0.40) AKR1C3AKR1C2AKR1C1MAPTPTGS1

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