SCHEMBL10280893

SCHEMBL10280893

CCOC(=O)CCc1ccc(OCc2ccc(CI)cc2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.48
FFAR4 Q5NUL3 1/20 0.48
MAOB P27338 3/20 0.46
MAOA P21397 1/20 0.44
MAPT P10636 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 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
SCHEMBL2822420 0.88 FFAR1 (0.48) FFAR1FFAR4MAOBMAOAMAPT
SCHEMBL1587147 0.88 FFAR1 (0.48) FFAR1FFAR4MAOBMAOAMAPT
SCHEMBL1747218 0.84 FFAR1 (0.65) FFAR1FFAR4
SCHEMBL3914637 0.83 FFAR1 (0.44) FFAR1FFAR4MAOBMAPT
SCHEMBL1587099 0.81 FFAR1 (0.51) FFAR1FFAR4CYP4F2CYP4A11
SCHEMBL1587195 0.81 FFAR1 (0.50) FFAR1FFAR4
SCHEMBL11661092 0.81 MAOB (0.53) FFAR1FFAR4MAOBMAOAMAPT
SCHEMBL22668391 0.80 FFAR1 (0.46) FFAR1FFAR4MAPT
SCHEMBL10635313 0.80 CYP4F2 (0.53) FFAR1FFAR4MAOBCYP4F2CYP4A11
SCHEMBL3500832 0.79 PPARG (0.51) FFAR1FFAR4MAOB

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-1698624-B1 PHENYLPROPANOIC ACID DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2012-06-27 EP disclosed