SCHEMBL14586752

SCHEMBL14586752

CC(C)(C)c1cc(CC(=O)NNC(=O)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.57
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 8/20 0.50
LMNA P02545 4/20 0.50
TSHR P16473 3/20 0.50
MAPK1 P28482 3/20 0.50
MEN1 O00255 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
BLM P54132 2/20 0.50
ATM Q13315 2/20 0.50
HIF1A Q16665 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MAPT P10636 2/20 0.50
USP2 O75604 1/20 0.50
CYP2D6 P10635 1/20 0.50
GSR P00390 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
GMNN O75496 1/20 0.49
GABBR2 O75899 1/20 0.49

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
SCHEMBL14586753 0.93 GAA (0.51) GAAKMT2AALDH1A1LMNATSHR
SCHEMBL11891904 0.91 GAA (0.68) GAAKMT2AALDH1A1LMNATSHR
SCHEMBL9556746 0.90 CYP1A2 (0.49) GAAKMT2AALDH1A1LMNATSHR
SCHEMBL5741936 0.87 GAA (0.55) GAAKMT2AALDH1A1LMNATSHR
SCHEMBL8340038 0.87 GAA (0.73) GAAKMT2AALDH1A1LMNATSHR
SCHEMBL14586751 0.85 GAA (0.45) GAAKMT2AALDH1A1LMNATSHR
SCHEMBL14184185 0.84 GAA (0.56) GAAKMT2AALDH1A1LMNATSHR
SCHEMBL6709404 0.84 GAA (0.53) GAAKMT2AALDH1A1LMNATSHR
SCHEMBL11891908 0.84 GAA (0.60) GAAKMT2AALDH1A1LMNATSHR
SCHEMBL11329581 0.83 GAA (0.51) GAAKMT2AALDH1A1LMNATSHR

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-20070032581-A1 Additive mixtures CIBA CORPORATION 2007-02-08 US disclosed