SCHEMBL6779

SCHEMBL6779

CCOC(=O)CCc1ccc(-c2ccc(-c3onc(C)c3CCCC(O)c3ccccc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MGLL Q99685 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
F2 P00734 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 1/20 0.38
FAAH O00519 1/20 0.37
ALOX5 P09917 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37
PTPN1 P18031 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
SCHEMBL6024 0.91 LPAR1 (0.46) LPAR1PPARGPPARAALDH1A1L3MBTL1
SCHEMBL6889 0.89 FFAR1 (0.46) LPAR1PPARGPPARAALDH1A1L3MBTL1
SCHEMBL6778 0.85 ALOX5 (0.42) LPAR1CYP4F2CYP4A11ALDH1A1MGLL
SCHEMBL7481 0.84 LPAR1 (0.55) LPAR1ALDH1A1L3MBTL1FFAR4HPGD
SCHEMBL6416 0.83 LPAR1 (0.40) LPAR1ALDH1A1L3MBTL1S1PR1S1PR3
SCHEMBL6581 0.83 CHRM1 (0.40) LPAR1PPARGPPARAALDH1A1L3MBTL1
SCHEMBL7143 0.83 LPAR1 (0.41) LPAR1ALDH1A1L3MBTL1FFAR4S1PR1
SCHEMBL18597925 0.81 LPAR1 (0.43) LPAR1CYP4F2CYP4A11ALDH1A1L3MBTL1
SCHEMBL7874 0.80 CYP4F2 (0.43) LPAR1CYP4F2CYP4A11ALDH1A1L3MBTL1
SCHEMBL1841 0.80 ABCC3 (0.48) LPAR1ALDH1A1L3MBTL1

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