SCHEMBL1379

SCHEMBL1379

Cc1noc(-c2ccc(Br)cc2)c1C(CCCO)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
LPAR1 Q92633 3/20 0.38
LPAR3 Q9UBY5 1/20 0.38
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ABCC3 O15438 1/20 0.36
ABCC4 O15439 1/20 0.36
ABCB11 O95342 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
ABCB4 P21439 1/20 0.36
ABCC2 Q92887 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BRD4 O60885 2/20 0.34
THRB P10828 1/20 0.34
CREBBP Q92793 1/20 0.34
NR1H4 Q96RI1 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
SCHEMBL7206 0.82 POLB (0.37) GAALPAR1LPAR3ALDH1A1ABCC3
SCHEMBL1464 0.82 GAA (0.38) GAALPAR1LPAR3ALDH1A1SMN1; SMN2
SCHEMBL6690 0.82 LIPG (0.43) GAALPAR1LPAR3ALDH1A1SMN1; SMN2
SCHEMBL1476 0.81 LPAR1 (0.43) GAALPAR1LPAR3ALDH1A1SMN1; SMN2
SCHEMBL1807 0.81 MEN1 (0.44) ALDH1A1SMN1; SMN2NPSR1TDP1BRD4
SCHEMBL6838 0.76 L3MBTL1 (0.40) LPAR1LPAR3ALDH1A1SMN1; SMN2TDP1
SCHEMBL4671 0.74 BRD4 (0.41) GAALPAR1LPAR3ALDH1A1SMN1; SMN2
SCHEMBL7387 0.74 NR1I2 (0.35) GAALPAR1LPAR3ALDH1A1SMN1; SMN2
SCHEMBL1228 0.74 LPAR1 (0.46) GAALPAR1LPAR3ALDH1A1SMN1; SMN2
SCHEMBL1803 0.74 LPAR1 (0.46) GAALPAR1LPAR3ALDH1A1SMN1; SMN2

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-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041729-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed