SCHEMBL2337285

SCHEMBL2337285

CCOC(=O)Cc1ccc(-c2ccc(-c3onc(C)c3NC(=O)OCCc3cc(Br)cc(Br)c3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.50
LPAR3 Q9UBY5 3/20 0.47
LPAR2 Q9HBW0 2/20 0.47
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
MAPT P10636 5/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KLK7 P49862 2/20 0.35
NLRP3 Q96P20 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL3702407 0.92 LPAR1 (0.50) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2335506 0.91 LPAR1 (0.61) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2335063 0.88 LPAR1 (0.57) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL3705982 0.86 LPAR1 (0.49) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2294172 0.85 LPAR1 (0.66) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2294169 0.85 LPAR1 (0.66) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2636000 0.84 LPAR1 (0.51) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2338009 0.83 LPAR1 (0.49) LPAR1LPAR3LPAR2CYP2C9MAPT
SCHEMBL3706823 0.83 LPAR1 (0.49) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2339547 0.83 LPAR1 (0.56) LPAR1LPAR3LPAR2ABCC3ABCC4

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-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
WO-2010077883-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed