SCHEMBL7250

SCHEMBL7250

Cc1noc(-c2ccc(-c3ccc(C(Cc4ccccc4)C(=O)O)cc3)cc2)c1CCCC(O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.46
PPARA Q07869 6/20 0.43
LPAR1 Q92633 2/20 0.39
P4HTM Q9NXG6 1/20 0.38
S1PR1 P21453 5/20 0.38
PTPN1 P18031 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
S1PR3 Q99500 3/20 0.37
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX1 P07099 1/20 0.36
LPAR3 Q9UBY5 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
SCHEMBL6581 0.91 CHRM1 (0.40) PPARGPPARALPAR1S1PR1PTPN1
SCHEMBL7249 0.86 PPARG (0.51) PPARGPPARALPAR1P4HTMPTPN1
SCHEMBL6889 0.85 FFAR1 (0.46) PPARGPPARALPAR1S1PR1S1PR3
SCHEMBL7481 0.83 LPAR1 (0.55) LPAR1S1PR1PTGDR2S1PR3ALDH1A1
SCHEMBL7242 0.82 LIPG (0.44) PPARGPPARALPAR1S1PR1S1PR3
SCHEMBL6190 0.82 PPARG (0.46) PPARGPPARALPAR1P4HTMPTPN1
SCHEMBL6024 0.79 LPAR1 (0.46) PPARGPPARALPAR1S1PR1S1PR3
SCHEMBL6801 0.79 SMN1; SMN2 (0.46) LPAR1S1PR1S1PR3ALDH1A1L3MBTL1
SCHEMBL7190 0.78 LPAR1 (0.40) PPARGPPARALPAR1S1PR1S1PR3
SCHEMBL6779 0.78 LPAR1 (0.42) PPARGPPARALPAR1S1PR1PTPN1

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