SCHEMBL4564379

SCHEMBL4564379

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
HIF1A Q16665 1/20 0.46
EPAS1 Q99814 1/20 0.46
PPARA Q07869 2/20 0.46
PPARG P37231 1/20 0.46
GPR84 Q9NQS5 6/20 0.44
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 2/20 0.40
NR4A1 P22736 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
AKT1 P31749 1/20 0.39
IRS1 P35568 1/20 0.39
GAB1 Q13480 1/20 0.39

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
SCHEMBL4556897 0.93 MAPT (0.45) SMN1; SMN2MAPTHTTHIF1AEPAS1
SCHEMBL11884889 0.80 ALDH1A1 (0.56) MAPTHTTHIF1AEPAS1GPR84
SCHEMBL9339119 0.80 KMT2A (0.50) SMN1; SMN2HSD17B10ALDH1A1NR4A1
SCHEMBL4169300 0.79 MAPT (0.54) MAPTHTTHIF1AEPAS1GPR84
SCHEMBL9149975 0.77 HIF1A (0.49) SMN1; SMN2MAPTHTTHIF1AEPAS1
SCHEMBL21060952 0.77 HIF1A (0.49) SMN1; SMN2MAPTHTTHIF1AEPAS1
SCHEMBL17156498 0.75 HIF1A (0.60) MAPTHTTHIF1AEPAS1GPR84
SCHEMBL891349 0.75 HIF1A (0.66) MAPTHTTHIF1AEPAS1GPR84
SCHEMBL890821 0.75 HIF1A (0.66) MAPTHTTHIF1AEPAS1GPR84
SCHEMBL7243687 0.74 ALDH1A1 (0.62) MAPTHIF1APPARAPPARGHSD17B10

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