SCHEMBL7577

SCHEMBL7577

Cc1noc(-c2ccc(-c3ccc(CCC(=O)O)cc3)cc2)c1C[C@@H](O)SCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.43
FFAR4 Q5NUL3 4/20 0.41
LPAR1 Q92633 3/20 0.41
LPAR2 Q9HBW0 2/20 0.41
LPAR3 Q9UBY5 2/20 0.41
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
PPARD Q03181 1/20 0.38
KEAP1 Q14145 1/20 0.38
HCAR2 Q8TDS4 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
SCHEMBL7722 0.90 LPAR1 (0.48) FFAR1LPAR1LPAR2LPAR3PPARD
SCHEMBL7741 0.90 CYP4F2 (0.39) FFAR4LPAR1LPAR2LPAR3
SCHEMBL7136 0.88 FFAR1 (0.43) FFAR1FFAR4PPARD
SCHEMBL6707 0.83 LPAR1 (0.41) LPAR1LPAR2LPAR3
SCHEMBL18597930 0.82 PTGER1 (0.54) FFAR1FFAR4LPAR1LPAR2LPAR3
SCHEMBL7260 0.82 PTGER1 (0.50) FFAR1FFAR4LPAR1LPAR2LPAR3
SCHEMBL1869 0.82 LPAR1 (0.49) LPAR1LPAR2LPAR3
SCHEMBL2265 0.82 LPAR1 (0.49) LPAR1LPAR2LPAR3
SCHEMBL6889 0.78 FFAR1 (0.46) FFAR1FFAR4LPAR1LPAR2LPAR3
SCHEMBL7576 0.78 LPAR1 (0.44) FFAR1FFAR4LPAR1LPAR2LPAR3

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 claimed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO claimed
EP-2483252-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