SCHEMBL1245150

SCHEMBL1245150

CCOC(=O)C(C)c1ccc(-c2ccc(-c3noc(C)c3N(C(=O)OCC)c3ccccc3Cl)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.39
MAPT P10636 3/20 0.38
SCN9A Q15858 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL1245116 0.94 PTGS2 (0.39) GPBAR1MAPTSCN9AL3MBTL1HPGD
SCHEMBL1246504 0.87 GPBAR1 (0.38) GPBAR1MAPTSCN9AL3MBTL1HPGD
SCHEMBL1247564 0.86 MAPT (0.42) GPBAR1MAPTSCN9AL3MBTL1HPGD
SCHEMBL2337989 0.85 LPAR1 (0.38) GPBAR1MAPTL3MBTL1HPGDALDH1A1
SCHEMBL1245358 0.84 NR1H4 (0.42) GPBAR1MAPTSCN9AHPGDALDH1A1
SCHEMBL1246442 0.83 ALDH1A1 (0.39) GPBAR1MAPTSCN9AHPGDALDH1A1
SCHEMBL1246242 0.83 PTGS2 (0.39) GPBAR1SCN9AHPGDALDH1A1LMNA
SCHEMBL1247211 0.83 FFAR4 (0.42) GPBAR1MAPTHPGDALDH1A1POLB
SCHEMBL1245152 0.83 NR1H4 (0.42) GPBAR1MAPTSCN9AHPGDALDH1A1
SCHEMBL1245320 0.82 NR1H4 (0.45) GPBAR1MAPTSCN9AHPGDALDH1A1

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-2462128-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-06-13 EP claimed
WO-2011017350-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-10 WO claimed