SCHEMBL7863644

SCHEMBL7863644

CC(C)(C)N(CCCCn1cnc([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
ALDH1A1 P00352 2/20 0.36
PKM P14618 1/20 0.36
HIF1A Q16665 1/20 0.34
CYP2C19 P33261 1/20 0.33
EGFR P00533 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CPB2 Q96IY4 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
SCHEMBL7875665 0.80 CPB2 (0.35) CPB2
SCHEMBL9730065 0.74 L3MBTL1 (0.44) L3MBTL1TAAR1ALDH1A1PKMEGFR
SCHEMBL7025670 0.74 TAAR1 (0.52) L3MBTL1TAAR1ALDH1A1HIF1AMEN1
SCHEMBL19406117 0.73 L3MBTL1 (0.46) L3MBTL1TAAR1ALDH1A1PKMEGFR
SCHEMBL27972765 0.73 L3MBTL1 (0.51) L3MBTL1TAAR1ALDH1A1PKMHIF1A
SCHEMBL14696607 0.72 L3MBTL1 (0.53) L3MBTL1TAAR1ALDH1A1PKMHIF1A
SCHEMBL7016796 0.72 L3MBTL1 (0.45) L3MBTL1TAAR1ALDH1A1PKMHIF1A
SCHEMBL27972864 0.72 L3MBTL1 (0.48) L3MBTL1TAAR1ALDH1A1PKMHIF1A
Trifluoroacetic Acid SCHEMBL29174401 0.72 L3MBTL1 (0.43) L3MBTL1TAAR1ALDH1A1PKMCPB2
SCHEMBL27747903 0.71 L3MBTL1 (0.48) L3MBTL1TAAR1ALDH1A1PKMHIF1A

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
US-6313101-B1 ANTIBIOTICS AVENTIS PHARMA S.A. (FR) 2001-11-06 US disclosed