SCHEMBL3702333

SCHEMBL3702333

CCOC(=O)N(c1ccccc1Cl)c1c(C)noc1-c1ccc2cc(-c3ccc(CC(=O)O)cc3)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.44
LPAR2 Q9HBW0 1/20 0.44
LPAR3 Q9UBY5 1/20 0.44
NR1H4 Q96RI1 9/20 0.38
DGAT1 O75907 2/20 0.37
SOAT1 P35610 1/20 0.35
FABP1 P07148 1/20 0.35
FABP4 P15090 1/20 0.35
PPARD Q03181 5/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FFAR1 O14842 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

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
SCHEMBL3714465 0.94 LPAR1 (0.45) LPAR1LPAR2LPAR3NR1H4DGAT1
SCHEMBL3713548 0.93 LPAR1 (0.37) LPAR1LPAR2LPAR3KDM4EALDH1A1
SCHEMBL2338262 0.93 LPAR1 (0.50) LPAR1LPAR2LPAR3NR1H4DGAT1
SCHEMBL2338127 0.90 LPAR1 (0.44) LPAR1LPAR2LPAR3NR1H4DGAT1
SCHEMBL2335596 0.90 DGAT1 (0.44) LPAR1LPAR2LPAR3NR1H4DGAT1
SCHEMBL3700609 0.90 LPAR1 (0.46) LPAR1LPAR2LPAR3NR1H4FABP1
SCHEMBL3704161 0.90 LPAR1 (0.47) LPAR1LPAR2LPAR3NR1H4DGAT1
SCHEMBL2335497 0.89 LPAR1 (0.45) LPAR1LPAR2LPAR3NR1H4PPARD
SCHEMBL3703834 0.88 LPAR1 (0.48) LPAR1LPAR2LPAR3NR1H4KDM4E
SCHEMBL3708660 0.88 LPAR1 (0.40) 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 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