SCHEMBL1402

SCHEMBL1402

CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4CC/C=C(\O)c4cccc(C(F)(F)F)c4)cc3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
OPRM1 P35372 4/20 0.35
OPRD1 P41143 3/20 0.35
OPRK1 P41145 3/20 0.35
LPAR1 Q92633 6/20 0.35
ABCC3 O15438 1/20 0.35
ABCC4 O15439 1/20 0.35
ABCB11 O95342 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
ABCB4 P21439 1/20 0.35
ABCC2 Q92887 1/20 0.35
SLCO1B3 Q9NPD5 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
LPAR3 Q9UBY5 5/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL1899 0.91 OPRM1 (0.35) LMNANPSR1TSHRTDP1OPRM1
SCHEMBL1861 0.90 NPSR1 (0.38) LMNANPSR1TSHRTDP1OPRM1
SCHEMBL1757 0.89 ABCC3 (0.42) LMNANPSR1TSHRTDP1OPRM1
SCHEMBL1960 0.85 OPRM1 (0.38) LMNANPSR1TSHRTDP1OPRM1
SCHEMBL7073 0.84 ABCC3 (0.37) LMNANPSR1TSHRTDP1OPRM1
SCHEMBL6654 0.84 ABCC3 (0.37) LMNANPSR1TSHRTDP1OPRM1
SCHEMBL1880 0.81 LPAR1 (0.40) LMNANPSR1TSHRTDP1OPRM1
SCHEMBL1609 0.80 OPRM1 (0.41) LMNANPSR1TSHRTDP1OPRM1
SCHEMBL2014 0.79 LPAR1 (0.49) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL1525 0.79 OPRM1 (0.41) LMNANPSR1TSHRTDP1OPRM1

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