SCHEMBL3709239

SCHEMBL3709239

CCOC(=O)N(c1ccccc1Cl)c1c(C)noc1-c1cccc(-c2cc(CC(=O)O)ccc2OC)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.46
PTGDR2 Q9Y5Y4 9/20 0.40
LPAR1 Q92633 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL3713473 0.94 PPARD (0.39) PPARDPTGDR2MAPTTP53
SCHEMBL2337108 0.94 PPARD (0.47) PPARDPTGDR2LPAR1LPAR2LPAR3
SCHEMBL3712288 0.90 PPARD (0.39) PPARDPTGDR2LPAR1LPAR2LPAR3
SCHEMBL3708660 0.89 LPAR1 (0.40) PPARDLPAR1LPAR2LPAR3MAPT
SCHEMBL1246303 0.89 PPARD (0.46) PPARDPTGDR2MAPT
SCHEMBL3714465 0.89 LPAR1 (0.45) PPARDLPAR1LPAR2LPAR3
SCHEMBL3707320 0.88 CTSA (0.38) PPARDLPAR1LPAR2LPAR3
SCHEMBL2342065 0.87 PPARD (0.40) PPARDPTGDR2LPAR1LPAR2LPAR3
SCHEMBL3710948 0.87 PPARD (0.42) PPARDPTGDR2LPAR1LPAR2LPAR3
SCHEMBL3711037 0.86 PTGER1 (0.39) PPARDLPAR1LPAR2LPAR3MAPT

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