SCHEMBL4293707

SCHEMBL4293707

COc1cc(-c2cc3cc(CCC(=O)Oc4ccc(F)cc4)ccc3o2)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.49
CYP2C8 P10632 1/20 0.48
CSNK2A2 P19784 8/20 0.47
CSNK2B P67870 8/20 0.47
CSNK2A1 P68400 8/20 0.47
MAOA P21397 2/20 0.43
MAOB P27338 1/20 0.43
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
ESR2 Q92731 1/20 0.43

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
SCHEMBL4296169 0.91 CSNK2A2 (0.48) FFAR1CYP2C8CSNK2A2CSNK2BCSNK2A1
SCHEMBL3010999 0.89 FFAR1 (0.51) FFAR1CYP2C8CSNK2A2CSNK2BCSNK2A1
SCHEMBL4293704 0.88 FFAR1 (0.53) FFAR1CYP2C8CSNK2A2CSNK2BCSNK2A1
SCHEMBL3001663 0.86 CYP2C8 (0.55) FFAR1CYP2C8CSNK2A2CSNK2BCSNK2A1
SCHEMBL3012615 0.83 FFAR1 (0.63) FFAR1CYP2C8CSNK2A2CSNK2BCSNK2A1
SCHEMBL3002383 0.81 CYP2C8 (0.60) FFAR1CYP2C8MAOAMAOBALOX5
SCHEMBL3008716 0.81 CYP2C8 (0.53) FFAR1CYP2C8CSNK2A2CSNK2BCSNK2A1
SCHEMBL4293921 0.80 CSNK2A2 (0.42) CSNK2A2CSNK2BCSNK2A1ALOX5ESR2
SCHEMBL3013095 0.79 CSNK2A2 (0.50) FFAR1CYP2C8CSNK2A2CSNK2BCSNK2A1
SCHEMBL3002395 0.79 CYP2C8 (0.61) CYP2C8CSNK2A2CSNK2BCSNK2A1PTGES

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
EP-2069321-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF Digital Biotech Co., Ltd. (KR) 2009-06-17 EP disclosed
WO-2008041826-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF DIGITAL BIOTECH CO., LTD (KR) 2008-04-10 WO disclosed