SCHEMBL1909

SCHEMBL1909

Cc1noc(-c2ccc(Br)cc2)c1C(CO)OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.36
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LPAR3 Q9UBY5 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
NPC1 O15118 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
AR P10275 1/20 0.33
ABCC3 O15438 1/20 0.33
ABCC4 O15439 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
ABCB4 P21439 1/20 0.33
ABCC2 Q92887 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
ALDH1A1 P00352 3/20 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
SCHEMBL1925 1.00 LPAR1 (0.36) LPAR1RAB9AL3MBTL1LPAR3SMN1; SMN2
SCHEMBL1060 0.89 LPAR1 (0.35) LPAR1RAB9AL3MBTL1LPAR3SMN1; SMN2
SCHEMBL1230 0.89 LPAR1 (0.35) LPAR1RAB9AL3MBTL1LPAR3SMN1; SMN2
SCHEMBL2259 0.85 LMNA (0.37) LMNANR1H4BRD4
SCHEMBL1625 0.81 AR (0.37) LPAR1RAB9AL3MBTL1LPAR3SMN1; SMN2
SCHEMBL14677507 0.80 GAA (0.48) L3MBTL1ALDH1A1BRD4KDM4ENPY2R
SCHEMBL1924 0.80 AR (0.38) LPAR1RAB9AL3MBTL1LPAR3SMN1; SMN2
SCHEMBL1908 0.80 AR (0.38) LPAR1RAB9AL3MBTL1LPAR3SMN1; SMN2
SCHEMBL2087 0.77 EPHX1 (0.35) LPAR1RAB9AL3MBTL1LPAR3SMN1; SMN2
SCHEMBL6943 0.77 EPHX1 (0.35) LPAR1RAB9AL3MBTL1LPAR3SMN1; 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-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