SCHEMBL9568064

SCHEMBL9568064

Cc1c(C(=O)O)sc2cccc(C/C=C/c3ccccc3)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.45
PTGER3 P43115 4/20 0.45
PTGER2 P43116 4/20 0.45
MCL1 Q07820 4/20 0.39
MAPK1 P28482 1/20 0.39
PAM P19021 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
POLB P06746 1/20 0.37
PTGER1 P34995 2/20 0.37
RXFP1 Q9HBX9 2/20 0.36
GPR35 Q9HC97 1/20 0.36
PRNP P04156 1/20 0.36

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
SCHEMBL9568067 1.00 PTGER4 (0.45) PTGER4PTGER3PTGER2MCL1MAPK1
SCHEMBL9567941 0.81 MCL1 (0.46) MCL1MAPK1KDM4EALDH1A1KMT2A
SCHEMBL4272799 0.72 MCL1 (0.51) MCL1MAPK1KDM4EALDH1A1RXFP1
SCHEMBL6547490 0.70 PTGER4 (0.50) PTGER4PTGER3PTGER2PAMKDM4E
SCHEMBL15619314 0.69 MCL1 (0.71) MCL1MAPK1KDM4EALDH1A1MAPT
SCHEMBL2910452 0.69 ALDH1A1 (0.52) MCL1MAPK1KDM4EALDH1A1MAPT
SCHEMBL9567940 0.69 MCL1 (0.49) MCL1MAPK1KDM4EALDH1A1RXFP1
SCHEMBL29004700 0.69 PTGER4 (0.59) PTGER4PTGER3PTGER2PAMKDM4E
SCHEMBL27834112 0.69 ALDH1A1 (0.48) PTGER4PTGER3PTGER2PAMKDM4E
SCHEMBL3248765 0.69 PTGER4 (0.59) PTGER4PTGER3PTGER2PAMKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0568289-A2 Benzothiophenes and thienothiophenes and related compounds useful, for example, as urokinase inhibitors Eisai Co., Ltd. (JP) 1993-11-03 EP disclosed