SCHEMBL1229

SCHEMBL1229

Cc1noc(-c2ccc(Br)cc2)c1[C@H](O)COCCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.35
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LPAR3 Q9UBY5 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
ABCC3 O15438 1/20 0.32
ABCC4 O15439 1/20 0.32
ABCB11 O95342 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2C9 P11712 1/20 0.32
ABCB4 P21439 1/20 0.32
ABCC2 Q92887 1/20 0.32

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
SCHEMBL1059 1.00 LPAR1 (0.35) LPAR1TP53L3MBTL1SMN1; SMN2LPAR3
SCHEMBL1804 1.00 LPAR1 (0.35) LPAR1TP53L3MBTL1SMN1; SMN2LPAR3
SCHEMBL1924 0.89 AR (0.38) LPAR1L3MBTL1SMN1; SMN2LPAR3RAB9A
SCHEMBL1908 0.89 AR (0.38) LPAR1L3MBTL1SMN1; SMN2LPAR3RAB9A
SCHEMBL6838 0.84 L3MBTL1 (0.40) LPAR1TP53L3MBTL1SMN1; SMN2LPAR3
SCHEMBL1772 0.82 LPAR1 (0.51) LPAR1TP53SMN1; SMN2LPAR3LPAR2
SCHEMBL2074 0.82 LPAR1 (0.51) LPAR1TP53SMN1; SMN2LPAR3LPAR2
SCHEMBL1060 0.80 LPAR1 (0.35) LPAR1TP53L3MBTL1SMN1; SMN2LPAR3
SCHEMBL1230 0.80 LPAR1 (0.35) LPAR1TP53L3MBTL1SMN1; SMN2LPAR3
SCHEMBL1688 0.79 KCNA3 (0.43) LPAR1RAB9ALMNAABCC3ABCC4

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