SCHEMBL3709587

SCHEMBL3709587

CCOC(=O)Cc1ccc(-c2cccc(-c3onc(C)c3NC(=O)OCCc3ccccc3Cl)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.51
LPAR3 Q9UBY5 3/20 0.51
LPAR2 Q9HBW0 2/20 0.51
SCN9A Q15858 3/20 0.41
SCN5A Q14524 2/20 0.41
NLRP3 Q96P20 2/20 0.40
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
SYK P43405 1/20 0.37
MGLL Q99685 1/20 0.37
ALOX15 P16050 1/20 0.36
CRHBP P24387 1/20 0.36
HTT P42858 1/20 0.36
CRHR2 Q13324 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC26A6 Q9BXS9 1/20 0.36
ABCC3 O15438 1/20 0.36
ABCC4 O15439 1/20 0.36
ABCB11 O95342 1/20 0.36
CYP2C8 P10632 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
SCHEMBL3713550 0.94 LPAR1 (0.50) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3707845 0.94 LPAR1 (0.46) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL2339547 0.94 LPAR1 (0.56) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL2338066 0.93 LPAR1 (0.51) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3714467 0.92 LPAR1 (0.61) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3714489 0.91 LPAR1 (0.43) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL2340278 0.91 LPAR1 (0.48) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3707585 0.91 LPAR1 (0.53) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3717659 0.90 LPAR1 (0.42) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3704851 0.89 LPAR1 (0.42) LPAR1LPAR3LPAR2SCN9ASCN5A

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