SCHEMBL4556899

SCHEMBL4556899

CCCCCc1ccc(C(C(N)=O)C(C(=O)OCC)c2ccc(CCCCC)[nH]2)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
GPR84 Q9NQS5 11/20 0.38
SIRT1 Q96EB6 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
HCAR2 Q8TDS4 2/20 0.33
HCAR3 P49019 1/20 0.33
PARP1 P09874 1/20 0.32
AURKA O14965 1/20 0.32
NTRK1 P04629 1/20 0.32

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 0.71 MAPT (0.45) MAPTHTTHIF1AEPAS1GPR84
SCHEMBL4564379 0.71 SMN1; SMN2 (0.48) MAPTHTTHIF1AEPAS1GPR84
SCHEMBL9149975 0.70 HIF1A (0.49) MAPTHTTHIF1AEPAS1GPR84
SCHEMBL21060952 0.70 HIF1A (0.49) MAPTHTTHIF1AEPAS1GPR84
SCHEMBL4169300 0.68 MAPT (0.54) MAPTHTTHIF1AEPAS1GPR84
SCHEMBL11385980 0.68 MAPT (0.40) MAPTHTTHIF1AEPAS1GPR84
SCHEMBL22734765 0.68 HIF1A (0.53) MAPTHTTHIF1AEPAS1GPR84
SCHEMBL490816 0.66 HIF1A (0.62) MAPTHTTHIF1AEPAS1GPR84
SCHEMBL891143 0.65 HIF1A (0.66) MAPTHTTHIF1AEPAS1GPR84
SCHEMBL17156498 0.65 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