SCHEMBL1464

SCHEMBL1464

Cc1noc(-c2ccc(Br)cc2)c1C(CCC=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
LPAR1 Q92633 4/20 0.38
LPAR3 Q9UBY5 2/20 0.38
ALDH1A1 P00352 2/20 0.35
CYP2C9 P11712 2/20 0.35
ABCC3 O15438 1/20 0.35
ABCC4 O15439 1/20 0.35
ABCB11 O95342 1/20 0.35
CYP2C8 P10632 1/20 0.35
ABCB4 P21439 1/20 0.35
ABCC2 Q92887 1/20 0.35
SLCO1B3 Q9NPD5 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPY2R P49146 1/20 0.33
THRB P10828 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
HTR2A P28223 1/20 0.33

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 0.82 GAA (0.39) GAALPAR1LPAR3ALDH1A1CYP2C9
SCHEMBL1476 0.80 LPAR1 (0.43) GAALPAR1LPAR3ALDH1A1CYP2C9
SCHEMBL7206 0.79 POLB (0.37) GAALPAR1LPAR3ALDH1A1CYP2C9
SCHEMBL2612 0.75 LPAR1 (0.46) GAALPAR1LPAR3ALDH1A1CYP2C9
SCHEMBL6561 0.74 LPAR1 (0.34) GAALPAR1LPAR3ALDH1A1CYP2C9
SCHEMBL1448 0.73 BRD4 (0.35) LPAR1LPAR3ALDH1A1CYP2C9SMN1; SMN2
SCHEMBL1228 0.73 LPAR1 (0.46) GAALPAR1LPAR3ALDH1A1CYP2C9
SCHEMBL1625 0.73 AR (0.37) GAALPAR1LPAR3ALDH1A1CYP2C9
SCHEMBL1933 0.73 EPHX1 (0.34) GAALPAR1LPAR3SMN1; SMN2NR1H4
SCHEMBL1807 0.73 MEN1 (0.44) ALDH1A1SMN1; SMN2TDP1NPSR1L3MBTL1

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