SCHEMBL3700609

SCHEMBL3700609

CCOC(=O)N(c1ccccc1Cl)c1c(C)noc1-c1ccc(Oc2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.46
LPAR2 Q9HBW0 2/20 0.46
LPAR3 Q9UBY5 2/20 0.46
NR1H4 Q96RI1 6/20 0.39
PPARD Q03181 6/20 0.37
SRD5A2 P31213 2/20 0.36
NR3C1 P04150 1/20 0.36
FABP1 P07148 1/20 0.36
FABP4 P15090 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.34

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
SCHEMBL2338262 0.95 LPAR1 (0.50) LPAR1LPAR2LPAR3NR1H4PPARD
SCHEMBL3714445 0.93 LPAR1 (0.38) LPAR1LPAR2LPAR3KDM4EALDH1A1
SCHEMBL3704161 0.93 LPAR1 (0.47) LPAR1LPAR2LPAR3NR1H4PPARD
SCHEMBL3702549 0.93 LPAR1 (0.39) LPAR1LPAR2LPAR3NR1H4PPARD
SCHEMBL3702563 0.92 NR1H4 (0.46) LPAR1LPAR2LPAR3NR1H4PPARD
SCHEMBL3702333 0.90 LPAR1 (0.44) LPAR1LPAR2LPAR3NR1H4PPARD
SCHEMBL3709661 0.90 LPAR1 (0.41) LPAR1LPAR2LPAR3NR1H4PPARD
SCHEMBL3714465 0.89 LPAR1 (0.45) LPAR1LPAR2LPAR3NR1H4PPARD
SCHEMBL3712765 0.88 LPAR1 (0.43) LPAR1LPAR2LPAR3NR1H4PPARD
SCHEMBL2335596 0.88 DGAT1 (0.44) LPAR1LPAR2LPAR3NR1H4PPARD

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