SCHEMBL3707308

SCHEMBL3707308

CCOC(=O)N(c1ccccc1Cl)c1c(C)noc1-c1ccc(COc2ccccc2CC(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 7/20 0.40
LPAR1 Q92633 2/20 0.39
LPAR2 Q9HBW0 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39
PPARD Q03181 1/20 0.37
FFAR4 Q5NUL3 2/20 0.37
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37
F11 P03951 2/20 0.36
TPSB2 P20231 2/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
KLKB1 P03952 1/20 0.36
F7 P08709 1/20 0.36
CXCL8 P10145 1/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL3704465 0.94 TBXAS1 (0.36) CFDLPAR1LPAR2LPAR3FFAR4
SCHEMBL3702563 0.89 NR1H4 (0.46) LPAR1LPAR2LPAR3PPARDFABP4
SCHEMBL3709238 0.88 LPAR1 (0.41) LPAR1LPAR2LPAR3PPARDFFAR4
SCHEMBL2338262 0.87 LPAR1 (0.50) LPAR1LPAR2LPAR3PPARDFABP4
SCHEMBL1246460 0.87 PPARD (0.39) CFDPPARDFFAR4FABP4FABP5
SCHEMBL2342592 0.87 LPAR1 (0.39) LPAR1LPAR2LPAR3PPARDHPGD
SCHEMBL3704161 0.86 LPAR1 (0.47) LPAR1LPAR2LPAR3PPARDFABP4
SCHEMBL3703134 0.85 LPAR1 (0.39) LPAR1LPAR2LPAR3PPARDFFAR4
SCHEMBL3707791 0.84 LPAR1 (0.38) LPAR1LPAR2LPAR3HPGDNPSR1
SCHEMBL3700609 0.84 LPAR1 (0.46) LPAR1LPAR2LPAR3PPARDFABP4

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