SCHEMBL7242

SCHEMBL7242

Cc1noc(-c2ccc(-c3cccc(CCC(=O)O)c3)cc2)c1CCCC(O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.44
FFAR1 O14842 9/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
FFAR4 Q5NUL3 5/20 0.40
LPAR1 Q92633 1/20 0.40
AKR1B1 P15121 1/20 0.40
FABP1 P07148 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
PPARD Q03181 3/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
PLA2G10 O15496 1/20 0.37
PLA2G2A P14555 1/20 0.37
SLCO1B1 Q9Y6L6 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
SCHEMBL6889 0.91 FFAR1 (0.46) FFAR1S1PR1S1PR3FFAR4LPAR1
SCHEMBL6416 0.91 LPAR1 (0.40) LIPGFFAR1S1PR1S1PR3LPAR1
SCHEMBL7241 0.85 LIPG (0.44) LIPGFFAR1FFAR4AKR1B1PPARD
SCHEMBL7175 0.84 LPAR1 (0.38) S1PR1S1PR3LPAR1PPARGPPARA
SCHEMBL7481 0.84 LPAR1 (0.55) S1PR1S1PR3FFAR4LPAR1NR1H4
SCHEMBL6801 0.83 SMN1; SMN2 (0.46) FFAR1S1PR1S1PR3FFAR4LPAR1
SCHEMBL7250 0.82 PPARG (0.46) S1PR1S1PR3LPAR1PPARGPPARA
SCHEMBL6549 0.82 FFAR4 (0.45) FFAR1S1PR1S1PR3FFAR4LPAR1
SCHEMBL6581 0.81 CHRM1 (0.40) S1PR1S1PR3FFAR4LPAR1PPARG
SCHEMBL6779 0.81 LPAR1 (0.42) S1PR1S1PR3FFAR4LPAR1PPARG

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