SCHEMBL3704161

SCHEMBL3704161

CCOC(=O)N(c1ccccc1Cl)c1c(C)noc1-c1ccc(Cc2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.47
LPAR2 Q9HBW0 2/20 0.47
LPAR3 Q9UBY5 2/20 0.47
PPARD Q03181 7/20 0.36
NR1H4 Q96RI1 7/20 0.36
IP6K1 Q92551 1/20 0.34
IP6K3 Q96PC2 1/20 0.34
IP6K2 Q9UHH9 1/20 0.34
ABCC4 O15439 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
PTGS1 P23219 1/20 0.33
HTT P42858 1/20 0.33
FABP1 P07148 1/20 0.33
FABP4 P15090 1/20 0.33
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 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
SCHEMBL2338262 0.96 LPAR1 (0.50) LPAR1LPAR2LPAR3PPARDNR1H4
SCHEMBL3711134 0.94 LPAR1 (0.42) LPAR1LPAR2LPAR3PPARDNR1H4
SCHEMBL3700609 0.93 LPAR1 (0.46) LPAR1LPAR2LPAR3PPARDNR1H4
SCHEMBL3707582 0.93 LPAR1 (0.39) LPAR1LPAR2LPAR3IP6K1IP6K3
SCHEMBL3709238 0.92 LPAR1 (0.41) LPAR1LPAR2LPAR3PPARDNR1H4
SCHEMBL3702563 0.91 NR1H4 (0.46) LPAR1LPAR2LPAR3PPARDNR1H4
SCHEMBL3714465 0.90 LPAR1 (0.45) LPAR1LPAR2LPAR3PPARDNR1H4
SCHEMBL3712765 0.90 LPAR1 (0.43) LPAR1LPAR2LPAR3PPARDNR1H4
SCHEMBL3702333 0.90 LPAR1 (0.44) LPAR1LPAR2LPAR3PPARDNR1H4
SCHEMBL2335596 0.90 DGAT1 (0.44) LPAR1LPAR2LPAR3PPARDNR1H4

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