SCHEMBL11380415

SCHEMBL11380415

O=C(c1ccc(Oc2ccccc2Cl)cc1)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.53
LPAR5 Q9H1C0 5/20 0.53
CES1 P23141 1/20 0.50
MAPK14 Q16539 1/20 0.49
XIAP P98170 1/20 0.47
EZH2 Q15910 1/20 0.46
MLYCD O95822 1/20 0.46
PARP10 Q53GL7 1/20 0.45
AR P10275 1/20 0.45
CXCL8 P10145 1/20 0.42
PNLIP P16233 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL3135664 0.80 LPAR1 (0.65) LPAR1LPAR5MAPK14XIAPEZH2
SCHEMBL29784341 0.80 LPAR1 (0.65) LPAR1LPAR5MAPK14XIAPEZH2
SCHEMBL7248002 0.80 CES1 (0.67) CES1MAPK14MLYCDPARP10
SCHEMBL11511159 0.79 MAPT (0.60) LPAR1LPAR5MAPK14XIAPEZH2
SCHEMBL27480252 0.79 PARP10 (0.66) LPAR1LPAR5MAPK14XIAPEZH2
SCHEMBL27874065 0.79 SRD5A2 (0.56) LPAR1LPAR5MAPK14XIAPEZH2
SCHEMBL7176453 0.77 DPP4 (0.53) LPAR1LPAR5MAPK14XIAPAR
SCHEMBL27449133 0.76 MAPT (0.56) LPAR1LPAR5MAPK14XIAPEZH2
SCHEMBL11380431 0.75 MAPT (0.56) PNLIP
SCHEMBL10573534 0.75 MAPK14 (0.52) LPAR1LPAR5MAPK14XIAPEZH2

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
US-4288453-A A-(1-PHENYL-2,2,2-TRIFLUOROETHOXY (OR -ETHYLTHIO))ALKANOIC ACIDS USEFUL AS ANTICHOLESTEROL AND ANTILIPEMIC AGENTS SCIENCE UNION ET CIE (FR) 1981-09-08 US disclosed