SCHEMBL3707791

SCHEMBL3707791

CCOC(=O)N(c1ccccc1Cl)c1c(C)noc1-c1ccc(CS(=O)(=O)c2ccccc2CC(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.38
LPAR2 Q9HBW0 2/20 0.38
LPAR3 Q9UBY5 2/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.35
NPSR1 Q6W5P4 2/20 0.34
POLB P06746 2/20 0.34
SLC26A6 Q9BXS9 1/20 0.33
TP53 P04637 3/20 0.33
MAPT P10636 3/20 0.33
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
MMP3 P08254 2/20 0.33
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
MMP12 P39900 2/20 0.33
MMP13 P45452 2/20 0.33
MMP14 P50281 2/20 0.33
MMP16 P51512 2/20 0.33
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32

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
SCHEMBL3701141 0.89 LPAR1 (0.43) LPAR1LPAR2LPAR3PTGDR2NPSR1
SCHEMBL3709238 0.89 LPAR1 (0.41) LPAR1LPAR2LPAR3PTGDR2NPSR1
SCHEMBL1246186 0.88 PTGDR2 (0.38) PTGDR2NPSR1POLBTP53MAPT
SCHEMBL3701125 0.87 LPAR1 (0.40) LPAR1LPAR2LPAR3PTGDR2TP53
SCHEMBL3704161 0.86 LPAR1 (0.47) LPAR1LPAR2LPAR3
SCHEMBL2338262 0.86 LPAR1 (0.50) LPAR1LPAR2LPAR3
SCHEMBL2342592 0.85 LPAR1 (0.39) LPAR1LPAR2LPAR3POLBSLC26A6
SCHEMBL3703134 0.84 LPAR1 (0.39) LPAR1LPAR2LPAR3PTGDR2SLC26A6
SCHEMBL3707308 0.84 CFD (0.40) LPAR1LPAR2LPAR3NPSR1HPGD
SCHEMBL3700609 0.83 LPAR1 (0.46) LPAR1LPAR2LPAR3PTGDR2KDM4E

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