SCHEMBL7136

SCHEMBL7136

Cc1noc(-c2ccc(-c3ccc(CCC(=O)O)cc3)cc2)c1C[C@@H](O)SCc1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.43
FFAR4 Q5NUL3 3/20 0.43
EPHX1 P07099 7/20 0.42
MME P08473 1/20 0.40
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
SLC13A5 Q86YT5 1/20 0.36

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
SCHEMBL6585 0.92 EPHX1 (0.42) EPHX1RXRARXRBRXRG
SCHEMBL7428 0.90 EPHX1 (0.40) FFAR1FFAR4EPHX1THRB
SCHEMBL7577 0.88 FFAR1 (0.43) FFAR1FFAR4PPARD
SCHEMBL18597716 0.85 FFAR1 (0.48) FFAR1FFAR4EPHX1THRATHRB
SCHEMBL6871 0.85 EPHX1 (0.40) EPHX1THRB
SCHEMBL6615 0.85 FFAR1 (0.50) FFAR1FFAR4MMETHRATHRB
SCHEMBL2285 0.85 LPAR1 (0.41) EPHX1
SCHEMBL7135 0.82 FFAR1 (0.46) FFAR1FFAR4EPHX1MMETHRA
SCHEMBL1679 0.80 EPHX1 (0.39) EPHX1
SCHEMBL7741 0.78 CYP4F2 (0.39) FFAR4

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 2 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
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed