SCHEMBL3701141

SCHEMBL3701141

CCOC(=O)N(c1ccccc1Cl)c1c(C)noc1-c1ccc(CS(=O)(=O)c2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.43
LPAR2 Q9HBW0 2/20 0.43
LPAR3 Q9UBY5 2/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.36
FFAR1 O14842 2/20 0.35
MAPT P10636 2/20 0.35
NR1H4 Q96RI1 2/20 0.34
PPARD Q03181 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RORC P51449 3/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL3701125 0.93 LPAR1 (0.40) LPAR1LPAR2LPAR3PTGDR2FFAR1
SCHEMBL2338262 0.91 LPAR1 (0.50) LPAR1LPAR2LPAR3NR1H4PPARD
SCHEMBL3704161 0.89 LPAR1 (0.47) LPAR1LPAR2LPAR3NR1H4PPARD
SCHEMBL3707791 0.89 LPAR1 (0.38) LPAR1LPAR2LPAR3PTGDR2MAPT
SCHEMBL3700609 0.88 LPAR1 (0.46) LPAR1LPAR2LPAR3PTGDR2NR1H4
SCHEMBL1247804 0.87 NPSR1 (0.37) LPAR1LPAR2LPAR3PTGDR2MAPT
SCHEMBL3702563 0.85 NR1H4 (0.46) LPAR1LPAR2LPAR3PTGDR2FFAR1
SCHEMBL3714465 0.85 LPAR1 (0.45) LPAR1LPAR2LPAR3FFAR1NR1H4
SCHEMBL3712765 0.85 LPAR1 (0.43) LPAR1LPAR2LPAR3PTGDR2MAPT
SCHEMBL3702333 0.84 LPAR1 (0.44) LPAR1LPAR2LPAR3FFAR1NR1H4

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