SCHEMBL2341944

SCHEMBL2341944

CCOC(=O)CCc1ccc(-c2ccc(-c3onc(C)c3NC(=O)OCCc3ccccc3Cl)cc2)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 0.42
SCN5A Q14524 2/20 0.42
NLRP3 Q96P20 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ABCC3 O15438 1/20 0.39
ABCC4 O15439 1/20 0.39
ABCB11 O95342 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
ABCB4 P21439 1/20 0.39
ABCC2 Q92887 1/20 0.39
SLCO1B3 Q9NPD5 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
SLC26A6 Q9BXS9 2/20 0.38

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
SCHEMBL2338122 0.95 LPAR1 (0.50) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL2339547 0.92 LPAR1 (0.56) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL2336067 0.91 LPAR1 (0.57) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3707585 0.89 LPAR1 (0.53) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3706736 0.88 LPAR1 (0.50) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL2334593 0.88 LPAR1 (0.56) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL2336641 0.88 LPAR1 (0.57) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3714447 0.87 LPAR1 (0.51) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3714441 0.87 LPAR1 (0.54) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL2332527 0.86 LPAR1 (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358688-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-08-24 EP disclosed
WO-2010077883-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed