SCHEMBL29095046

SCHEMBL29095046

CCC(C(=O)O)c1ccccc1NC(=O)c1cc(-c2cccc(CN)c2)c2occc2c1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 16/20 0.50
▸ F11 P03951 1/20 0.43
▸ TPSB2 P20231 1/20 0.43
▸ SUCNR1 Q9BXA5 1/20 0.43
▸ HDAC1 Q13547 1/20 0.39

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
SCHEMBL29094999 0.85 CFD (0.47) CFDF11TPSB2SUCNR1HDAC1
SCHEMBL23607756 0.84 CFD (0.51) CFDF11TPSB2SUCNR1HDAC1
SCHEMBL29095070 0.84 CFD (0.72) CFDF11TPSB2SUCNR1HDAC1
SCHEMBL29095189 0.83 CFD (0.46) CFDF11TPSB2SUCNR1
SCHEMBL21438183 0.81 CFD (0.73) CFDF11TPSB2SUCNR1
SCHEMBL29095093 0.79 CFD (0.46) CFDF11TPSB2SUCNR1HDAC1
SCHEMBL29095007 0.79 CFD (0.46) CFDF11TPSB2SUCNR1HDAC1
SCHEMBL21438996 0.79 CFD (0.58) CFDF11TPSB2SUCNR1
SCHEMBL29095112 0.76 ALDH1A1 (0.43) CFDF11TPSB2SUCNR1
SCHEMBL29095037 0.74 HDAC1 (0.39) SUCNR1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117164499-A Substituted benzofurans, benzopyrroles, benzothiophenes and structurally related complement inhibitors 拜奥克里斯特制药公司 2023-12-05 — — CN disclosed
CN-112272553-B Substituted benzofurans, benzopyrroles, benzothiophenes and structurally related complement inhibitors 拜奥克里斯特制药公司 2023-09-22 — — CN disclosed
Send feedback