SCHEMBL1060

SCHEMBL1060

Cc1noc(-c2ccc(Br)cc2)c1C(CO)OCCc1ccccc1

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 4/20 0.34
RAB9A P51151 3/20 0.34
LPAR3 Q9UBY5 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
GAA P10253 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
NPC1 O15118 2/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 2/20 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

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
SCHEMBL1230 1.00 LPAR1 (0.35) LPAR1TP53L3MBTL1RAB9ALPAR3
SCHEMBL1925 0.89 LPAR1 (0.36) LPAR1TP53L3MBTL1RAB9ALPAR3
SCHEMBL1909 0.89 LPAR1 (0.36) LPAR1TP53L3MBTL1RAB9ALPAR3
SCHEMBL6496 0.82 TP53 (0.37) LPAR1TP53L3MBTL1RAB9ALPAR3
SCHEMBL1229 0.80 LPAR1 (0.35) LPAR1TP53L3MBTL1RAB9ALPAR3
SCHEMBL1804 0.80 LPAR1 (0.35) LPAR1TP53L3MBTL1RAB9ALPAR3
SCHEMBL1059 0.80 LPAR1 (0.35) LPAR1TP53L3MBTL1RAB9ALPAR3
SCHEMBL6838 0.77 L3MBTL1 (0.40) LPAR1TP53L3MBTL1RAB9ALPAR3
SCHEMBL2259 0.77 LMNA (0.37) LMNANR1H4BRD4
SCHEMBL2087 0.76 EPHX1 (0.35) LPAR1L3MBTL1RAB9ALPAR3LMNA

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