SCHEMBL6581

SCHEMBL6581

CCOC(=O)C(Cc1ccccc1)c1ccc(-c2ccc(-c3onc(C)c3CCCC(O)c3ccccc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.40
PPARG P37231 4/20 0.39
PPARA Q07869 2/20 0.39
LPAR1 Q92633 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 2/20 0.39
S1PR1 P21453 5/20 0.38
S1PR3 Q99500 3/20 0.38
FFAR4 Q5NUL3 1/20 0.37
EPHX2 P34913 1/20 0.37
GPR119 Q8TDV5 2/20 0.36
LPAR3 Q9UBY5 1/20 0.36
PTPN1 P18031 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL7250 0.91 PPARG (0.46) PPARGPPARALPAR1L3MBTL1ALDH1A1
SCHEMBL6580 0.87 PPARG (0.42) CHRM1PPARGPPARALPAR1ALDH1A1
SCHEMBL6024 0.84 LPAR1 (0.46) PPARGPPARALPAR1L3MBTL1ALDH1A1
SCHEMBL6889 0.83 FFAR1 (0.46) PPARGPPARALPAR1L3MBTL1ALDH1A1
SCHEMBL7117 0.83 LPAR1 (0.39) CHRM1PPARGLPAR1L3MBTL1ALDH1A1
SCHEMBL6779 0.83 LPAR1 (0.42) PPARGPPARALPAR1L3MBTL1ALDH1A1
SCHEMBL7242 0.81 LIPG (0.44) PPARGPPARALPAR1S1PR1S1PR3
SCHEMBL7481 0.80 LPAR1 (0.55) LPAR1L3MBTL1ALDH1A1S1PR1S1PR3
SCHEMBL1841 0.79 ABCC3 (0.48) LPAR1L3MBTL1ALDH1A1
SCHEMBL6966 0.79 EPHX2 (0.35) PPARGLPAR1L3MBTL1ALDH1A1S1PR1

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-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