SCHEMBL10090

SCHEMBL10090

Cc1noc(-c2cc(CCC(=O)O)ccc2-c2ccccc2)c1Nc1cccc(-c2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.38
RXRB P28702 5/20 0.38
RXRG P48443 4/20 0.38
NR4A2 P43354 2/20 0.38
PLA2G10 O15496 1/20 0.38
PLA2G2A P14555 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
FFAR4 Q5NUL3 3/20 0.38
FFAR1 O14842 7/20 0.38
S1PR1 P21453 4/20 0.36
S1PR3 Q99500 3/20 0.36
S1PR5 Q9H228 2/20 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
SCHEMBL9973 0.90 SYK (0.38)
SCHEMBL4137 0.87 FFAR1 (0.46) RXRARXRBRXRGNR4A2FFAR4
SCHEMBL10089 0.80 AKR1C3 (0.42)
SCHEMBL9972 0.79 LPAR1 (0.39)
SCHEMBL10083 0.79 LPAR1 (0.56) NR4A2FFAR1
SCHEMBL10448 0.78 LPAR1 (0.42) SLCO1B1
SCHEMBL5049 0.77 LPAR1 (0.42)
SCHEMBL9783 0.77 OPRM1 (0.38) SLCO1B1
SCHEMBL10135 0.76 LMNA (0.39) SLCO1B1
SCHEMBL10091 0.76 PTGS2 (0.41) SLCO1B1

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-2483251-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed