SCHEMBL4556897

SCHEMBL4556897

CCCCCc1ccc(CC(=O)OCC)[nH]1.CCCCCc1ccc(CC(N)=O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
SIRT1 Q96EB6 2/20 0.42
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
GPR84 Q9NQS5 2/20 0.39
HSD17B10 Q99714 1/20 0.36
CHEK1 O14757 1/20 0.36
AKT1 P31749 1/20 0.36
IRS1 P35568 1/20 0.36
GAB1 Q13480 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NR4A1 P22736 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
SCHEMBL4564379 0.93 SMN1; SMN2 (0.48) MAPTHTTSMN1; SMN2PPARAPPARG
SCHEMBL4169300 0.89 MAPT (0.54) MAPTHTTSIRT1HIF1AEPAS1
SCHEMBL11884889 0.75 ALDH1A1 (0.56) MAPTHTTHIF1AEPAS1GPR84
SCHEMBL9339119 0.74 KMT2A (0.50) SMN1; SMN2HSD17B10ALDH1A1NR4A1
SCHEMBL490816 0.72 HIF1A (0.62) MAPTHTTHIF1AEPAS1GPR84
SCHEMBL9149975 0.71 HIF1A (0.49) MAPTHTTSMN1; SMN2HIF1AEPAS1
SCHEMBL21060952 0.71 HIF1A (0.49) MAPTHTTSMN1; SMN2HIF1AEPAS1
SCHEMBL4556899 0.71 MAPT (0.40) MAPTHTTSIRT1PPARAPPARG
SCHEMBL891349 0.70 HIF1A (0.66) MAPTHTTHIF1AEPAS1GPR84
SCHEMBL17156498 0.70 HIF1A (0.60) MAPTHTTHIF1AEPAS1GPR84

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-2009015180-A2 NOVEL COMPOUNDS AND METHODS OF USING THEM SYNDAX PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed