SCHEMBL1476

SCHEMBL1476

CC(=O)CC(c1ccccc1)c1c(C)noc1-c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.43
LPAR3 Q9UBY5 1/20 0.43
CYP2C9 P11712 6/20 0.41
ALDH1A1 P00352 3/20 0.41
ALB P02768 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PCSK7 Q16549 1/20 0.41
HSD17B10 Q99714 1/20 0.41
VKORC1 Q9BQB6 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BRD4 O60885 1/20 0.40
ABCC3 O15438 1/20 0.40
ABCC4 O15439 1/20 0.40
ABCB11 O95342 1/20 0.40
CYP2C8 P10632 1/20 0.40
ABCB4 P21439 1/20 0.40
ABCC2 Q92887 1/20 0.40
SLCO1B3 Q9NPD5 1/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.40

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
SCHEMBL1379 0.81 GAA (0.39) LPAR1LPAR3CYP2C9ALDH1A1BRD4
SCHEMBL1464 0.80 GAA (0.38) LPAR1LPAR3CYP2C9ALDH1A1ABCC3
SCHEMBL7206 0.76 POLB (0.37) LPAR1LPAR3CYP2C9ALDH1A1BRD4
SCHEMBL7475 0.76 PTPN1 (0.40) LPAR1LPAR3CYP2C9ALDH1A1MEN1
SCHEMBL7770 0.75 ALDH1A1 (0.53) LPAR1LPAR3CYP2C9ALDH1A1MEN1
SCHEMBL18597903 0.75 ALDH1A1 (0.53) LPAR1LPAR3CYP2C9ALDH1A1MEN1
SCHEMBL2836880 0.74 RAB9A (0.42) LPAR1LPAR3CYP2C9ALDH1A1MEN1
SCHEMBL2761302 0.74 RAB9A (0.42) LPAR1LPAR3CYP2C9ALDH1A1MEN1
SCHEMBL4671 0.74 BRD4 (0.41) LPAR1LPAR3CYP2C9ALDH1A1KMT2A
SCHEMBL1228 0.74 LPAR1 (0.46) LPAR1LPAR3CYP2C9ALDH1A1BRD4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
EP-2483253-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041729-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed