SCHEMBL1366

SCHEMBL1366

CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4N(C)CC(Cc4ccccc4)OC(C)=O)cc3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.44
ABCC3 O15438 1/20 0.44
ABCC4 O15439 1/20 0.44
ABCB11 O95342 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
ABCB4 P21439 1/20 0.44
ABCC2 Q92887 1/20 0.44
SLCO1B3 Q9NPD5 1/20 0.44
SLCO1B1 Q9Y6L6 1/20 0.44
OPRM1 P35372 7/20 0.38
OPRD1 P41143 5/20 0.37
OPRK1 P41145 5/20 0.37
SLC22A1 O15245 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
KCNH2 Q12809 1/20 0.37
KCNA3 P22001 2/20 0.37
SLC26A6 Q9BXS9 1/20 0.37
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL1934 0.81 KCNA3 (0.48) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL1944 0.80 LPAR1 (0.49) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7730 0.79 LPAR1 (0.51) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2761320 0.78 LPAR1 (0.56) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6285 0.78 LPAR1 (0.48) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6284 0.78 ABCC3 (0.44) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7275 0.78 ABCC3 (0.42) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2761547 0.77 KCNA3 (0.43) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL12727 0.77 ABCC3 (0.41) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7344 0.77 ABCC3 (0.45) LPAR1ABCC3ABCC4ABCB11CYP2C8

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