SCHEMBL7741

SCHEMBL7741

CCOC(=O)CCc1ccc(-c2ccc(-c3onc(C)c3C[C@@H](O)SCc3ccccc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
MGLL Q99685 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LPAR1 Q92633 2/20 0.36
LPAR2 Q9HBW0 1/20 0.36
LPAR3 Q9UBY5 1/20 0.36
ALDH1A1 P00352 3/20 0.36
FFAR4 Q5NUL3 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ALOX5 P09917 1/20 0.35
ABCB1 P08183 1/20 0.35
PTPN1 P18031 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
SCHEMBL6707 0.91 LPAR1 (0.41) TDP1L3MBTL1LPAR1LPAR2LPAR3
SCHEMBL7577 0.90 FFAR1 (0.43) LPAR1LPAR2LPAR3FFAR4
SCHEMBL7428 0.88 EPHX1 (0.40) TDP1ALDH1A1FFAR4HPGD
SCHEMBL18597925 0.84 LPAR1 (0.43) CYP4F2CYP4A11TDP1MGLLL3MBTL1
SCHEMBL7874 0.84 CYP4F2 (0.43) CYP4F2CYP4A11TDP1MGLLL3MBTL1
SCHEMBL7722 0.84 LPAR1 (0.48) L3MBTL1LPAR1LPAR2LPAR3ALDH1A1
SCHEMBL1233 0.81 CYP2C9 (0.42) TDP1LPAR1ALDH1A1KDM4E
SCHEMBL2337 0.81 CYP2C9 (0.42) TDP1LPAR1ALDH1A1KDM4E
SCHEMBL6779 0.80 LPAR1 (0.42) CYP4F2CYP4A11MGLLL3MBTL1LPAR1
SCHEMBL7740 0.80 LPAR1 (0.40) CYP4F2CYP4A11TDP1MGLLLPAR1

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