SCHEMBL1602

SCHEMBL1602

CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4CC(F)(F)CC(O)c4ccccc4)cc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC3 O15438 1/20 0.46
ABCC4 O15439 1/20 0.46
ABCB11 O95342 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2C9 P11712 1/20 0.46
ABCB4 P21439 1/20 0.46
LPAR1 Q92633 1/20 0.46
ABCC2 Q92887 1/20 0.46
SLCO1B3 Q9NPD5 1/20 0.46
SLCO1B1 Q9Y6L6 1/20 0.46
OPRM1 P35372 9/20 0.43
OPRD1 P41143 6/20 0.43
OPRK1 P41145 6/20 0.43
KCNA3 P22001 1/20 0.42
SLC22A1 O15245 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
KCNH2 Q12809 1/20 0.41
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL2334 0.93 ABCC3 (0.46) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL2238 0.92 OPRM1 (0.45) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL1866 0.92 ABCC3 (0.37) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL2212 0.90 LPAR1 (0.53) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL1841 0.86 ABCC3 (0.48) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL1782 0.85 KCNA3 (0.43) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL2056 0.84 LPAR1 (0.48) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL1621 0.84 LPAR1 (0.48) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL2567 0.83 LPAR1 (0.45) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL1885 0.83 LPAR1 (0.53) ABCC3ABCC4ABCB11CYP2C8CYP2C9

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