SCHEMBL7466

SCHEMBL7466

Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1N(C)CCCc1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.47
LPAR2 Q9HBW0 2/20 0.40
LPAR3 Q9UBY5 1/20 0.40
SCD5 Q86SK9 1/20 0.39
SRC P12931 1/20 0.39
PPARG P37231 3/20 0.38
NR1H2 P55055 3/20 0.38
PPARD Q03181 3/20 0.38
PPARA Q07869 3/20 0.38
NR1H3 Q13133 3/20 0.38
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
ALOX5 P09917 1/20 0.36
ALOX5AP P20292 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
CA5B Q9Y2D0 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
SCHEMBL8174 0.89 MAOB (0.41) LPAR1SCD5SRCLTB4R2ALOX5
SCHEMBL6857 0.89 LPAR1 (0.42) LPAR1LPAR2LPAR3PPARGNR1H2
SCHEMBL6811 0.88 HDAC1 (0.42) LPAR1LPAR2LPAR3PPARGNR1H2
SCHEMBL7297 0.85 SCD5 (0.35) LPAR1SCD5ALOX5ALOX5APTAAR1
SCHEMBL2292 0.85 CYP2C9 (0.42) LPAR1SCD5ALOX5ALOX5APTAAR1
SCHEMBL2284 0.81 NPSR1 (0.43) LPAR1SCD5
SCHEMBL6610 0.81 FFAR1 (0.43) PPARGPPARD
SCHEMBL6934 0.80 FFAR4 (0.46) PPARGPPARDPPARA
SCHEMBL7572 0.79 SLC26A6 (0.36) LPAR1SCD5ALOX5ALOX5APBRD4
SCHEMBL7216 0.79 MAOB (0.41) LPAR1LPAR2LPAR3ALOX5

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