SCHEMBL3702407

SCHEMBL3702407

CCOC(=O)Cc1ccc(-c2ccc(-c3onc(C)c3NC(=O)OCCc3cccc(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
SLC26A6 Q9BXS9 1/20 0.40
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
MGLL Q99685 1/20 0.37
MAPT P10636 4/20 0.36
TP53 P04637 2/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 3/20 0.36
MEN1 O00255 2/20 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
SCHEMBL2337285 0.92 LPAR1 (0.50) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2338531 0.91 LPAR1 (0.61) LPAR1LPAR3LPAR2SLC26A6ABCC3
SCHEMBL3705982 0.91 LPAR1 (0.49) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2335063 0.89 LPAR1 (0.57) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2337996 0.87 LPAR1 (0.46) LPAR1LPAR3LPAR2MAPTALDH1A1
SCHEMBL2334165 0.86 LPAR1 (0.49) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2761501 0.84 LPAR1 (0.51) LPAR1LPAR3LPAR2SLC26A6ABCC3
SCHEMBL3706823 0.84 LPAR1 (0.49) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2336267 0.84 LPAR1 (0.54) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2288197 0.84 LPAR1 (0.68) LPAR1LPAR3LPAR2SLC26A6ABCC3

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