SCHEMBL3706733

SCHEMBL3706733

CCOC(=O)Cc1ccccc1Cc1ccc(-c2onc(C)c2N(C(=O)OCC)c2ccccc2Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.36
LPAR2 Q9HBW0 2/20 0.36
LPAR3 Q9UBY5 2/20 0.36
NLRP3 Q96P20 1/20 0.34
HTT P42858 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALOX15 P16050 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
SLC26A6 Q9BXS9 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ALOX5 P09917 2/20 0.33
ALOX5AP P20292 2/20 0.33
P2RX7 Q99572 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 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
SCHEMBL3709238 0.93 LPAR1 (0.41) LPAR1LPAR2LPAR3HTTL3MBTL1
SCHEMBL3707582 0.92 LPAR1 (0.39) LPAR1LPAR2LPAR3HTTL3MBTL1
SCHEMBL2339543 0.90 LPAR1 (0.42) LPAR1LPAR2LPAR3HTTL3MBTL1
SCHEMBL3704465 0.88 TBXAS1 (0.36) LPAR1LPAR2LPAR3HTTL3MBTL1
SCHEMBL3702066 0.88 POLB (0.37) LPAR1LPAR2LPAR3HTTL3MBTL1
SCHEMBL3714445 0.87 LPAR1 (0.38) LPAR1LPAR2LPAR3HTTL3MBTL1
SCHEMBL3704161 0.87 LPAR1 (0.47) LPAR1LPAR2LPAR3HTTALDH1A1
SCHEMBL2334024 0.86 L3MBTL1 (0.38) LPAR1LPAR2LPAR3HTTL3MBTL1
SCHEMBL2341943 0.85 CYP4F2 (0.39) LPAR1LPAR2LPAR3ALDH1A1ALOX5
SCHEMBL2336634 0.85 LPAR1 (0.43) LPAR1LPAR2LPAR3HTTL3MBTL1

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