SCHEMBL528401

SCHEMBL528401

CCS(=O)(=O)N(Cc1ccc(NC(=O)c2cc(F)ccc2OC)cc1)c1ccc(C)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
HTT P42858 4/20 0.47
ALDH1A1 P00352 5/20 0.46
NPSR1 Q6W5P4 2/20 0.46
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
AHR P35869 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
PPARA Q07869 1/20 0.41
SCN8A Q9UQD0 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL528937 0.90 MAPT (0.47) MAPTHTTALDH1A1NPSR1GAA
SCHEMBL528514 0.90 L3MBTL1 (0.49) MAPTHTTALDH1A1L3MBTL1MAPK1
SCHEMBL529290 0.89 MAPT (0.46) MAPTHTTALDH1A1NPSR1GAA
SCHEMBL528265 0.88 ALDH1A1 (0.54) MAPTHTTALDH1A1L3MBTL1HPGD
SCHEMBL528487 0.86 MAPT (0.46) MAPTHTTALDH1A1NPSR1GAA
SCHEMBL527889 0.85 ALDH1A1 (0.58) MAPTHTTALDH1A1NPSR1GAA
SCHEMBL529397 0.84 MAPT (0.57) MAPTHTTALDH1A1NPSR1HPGD
SCHEMBL528823 0.84 MAPT (0.53) MAPTHTTALDH1A1NPSR1HPGD
SCHEMBL528578 0.82 ROCK2 (0.53) MAPTHTTALDH1A1GAAHPGD
SCHEMBL529245 0.81 MEN1 (0.52) MAPTALDH1A1MAPK1HSD17B10SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO disclosed