SCHEMBL2612

SCHEMBL2612

Cc1noc(-c2ccc(Br)cc2)c1C(C=O)O[C@H](C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.46
LPAR3 Q9UBY5 3/20 0.46
ABCC3 O15438 1/20 0.42
ABCC4 O15439 1/20 0.42
ABCB11 O95342 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2C9 P11712 1/20 0.42
ABCB4 P21439 1/20 0.42
ABCC2 Q92887 1/20 0.42
SLCO1B3 Q9NPD5 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
LPAR2 Q9HBW0 2/20 0.33
NPY2R P49146 1/20 0.32
STAT3 P40763 2/20 0.32
NR1H4 Q96RI1 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL1625 0.80 AR (0.37) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL6496 0.78 TP53 (0.37) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL18597879 0.76 LPAR1 (0.46) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL1803 0.76 LPAR1 (0.46) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL1228 0.76 LPAR1 (0.46) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL1464 0.75 GAA (0.38) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL6561 0.74 LPAR1 (0.34) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL1448 0.74 BRD4 (0.35) LPAR1LPAR3CYP2C9ALDH1A1SMN1; SMN2
SCHEMBL18597795 0.72 LPAR1 (0.50) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL2611 0.72 LPAR1 (0.50) LPAR1LPAR3ABCC3ABCC4ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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