SCHEMBL3710948

SCHEMBL3710948

CCOC(=O)N(c1ccccc1Cl)c1c(C)noc1-c1ccc(Cc2cc(CC(=O)O)ccc2OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.42
LPAR1 Q92633 2/20 0.40
LPAR2 Q9HBW0 1/20 0.40
LPAR3 Q9UBY5 1/20 0.40
PTGDR2 Q9Y5Y4 5/20 0.38
MAPT P10636 3/20 0.36
TP53 P04637 3/20 0.36
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL3702066 0.94 POLB (0.37) PPARDLPAR1LPAR2LPAR3PTGDR2
SCHEMBL2337108 0.91 PPARD (0.47) PPARDLPAR1LPAR2LPAR3PTGDR2
SCHEMBL3704161 0.89 LPAR1 (0.47) PPARDLPAR1LPAR2LPAR3
SCHEMBL3711134 0.88 LPAR1 (0.42) PPARDLPAR1LPAR2LPAR3
SCHEMBL3709238 0.88 LPAR1 (0.41) PPARDLPAR1LPAR2LPAR3PTGDR2
SCHEMBL2338262 0.87 LPAR1 (0.50) PPARDLPAR1LPAR2LPAR3
SCHEMBL3709239 0.87 PPARD (0.46) PPARDLPAR1LPAR2LPAR3PTGDR2
SCHEMBL2342065 0.85 PPARD (0.40) PPARDLPAR1LPAR2LPAR3PTGDR2
SCHEMBL2335497 0.85 LPAR1 (0.45) PPARDLPAR1LPAR2LPAR3
SCHEMBL2336523 0.84 LPAR1 (0.41) PPARDLPAR1LPAR2LPAR3

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
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO claimed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed