SCHEMBL4046194

SCHEMBL4046194

O=C(O)CCCCc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.56
FFAR4 Q5NUL3 5/20 0.56
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
CYP2C9 P11712 1/20 0.50
SCN5A Q14524 1/20 0.50
FAAH O00519 3/20 0.48
CES1 P23141 3/20 0.48
SLC13A5 Q86YT5 1/20 0.47
RXRA P19793 1/20 0.47
NR1H2 P55055 1/20 0.47
SERPINE1 P05121 1/20 0.46
GCGR P47871 1/20 0.46

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
SCHEMBL24264814 0.91 HDAC3 (0.55) FFAR1FFAR4MAPTRXFP1CYP2C9
SCHEMBL1123025 0.89 FFAR1 (0.67) FFAR1FFAR4SLC13A5RXRASERPINE1
SCHEMBL584599 0.84 FFAR1 (0.64) FFAR1FFAR4
SCHEMBL22621150 0.84 DAO (0.45) FFAR1FFAR4SCN5ASERPINE1
SCHEMBL19993379 0.84 DAO (0.45) FFAR1FFAR4SCN5ASERPINE1
SCHEMBL933618 0.83 EPHX1 (0.51) FFAR1FFAR4FAAHCES1
SCHEMBL28649245 0.82 EPHX2 (0.65) GCGR
SCHEMBL934358 0.82 FAAH (0.51) FFAR1FFAR4FAAHCES1
SCHEMBL18643881 0.81 PPARA (0.49) FFAR1FFAR4SLC13A5SERPINE1
SCHEMBL10972858 0.81 FAAH (0.54) FFAR1FFAR4FAAHCES1

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-2074093-A2 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-07-01 EP claimed
WO-2008023336-A2 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-02-28 WO claimed