SCHEMBL6806

SCHEMBL6806

Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1CC(O)OCc1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.42
RXRA P19793 7/20 0.41
RXRB P28702 7/20 0.41
RXRG P48443 7/20 0.41
SLC26A3 P40879 5/20 0.41
ANO1 Q5XXA6 1/20 0.40
FFAR4 Q5NUL3 2/20 0.40
LPAR2 Q9HBW0 1/20 0.40
LPAR3 Q9UBY5 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
FFAR1 O14842 1/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL6615 0.92 FFAR1 (0.50) ANO1FFAR4FFAR1PPARGPPARD
SCHEMBL6660 0.91 SYK (0.41) ANO1
SCHEMBL7483 0.86 ANO1 (0.37) SLC26A3ANO1FFAR4FFAR1
SCHEMBL6869 0.86 SYK (0.41) ANO1FFAR4FFAR1
SCHEMBL2012 0.86 LPAR1 (0.43) LPAR1ANO1LPAR3NR1H4
SCHEMBL6585 0.84 EPHX1 (0.42) LPAR1RXRARXRBRXRGLPAR2
SCHEMBL2232 0.82 LMNA (0.39) LPAR1ANO1LPAR3
SCHEMBL6424 0.81 MEN1 (0.37) ANO1
SCHEMBL6805 0.81 LPAR1 (0.42) LPAR1RXRARXRBRXRGSLC26A3
SCHEMBL17265471 0.78 LPAR1 (0.41) LPAR1RXRARXRBRXRGSLC26A3

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