SCHEMBL9518040

SCHEMBL9518040

CC(C)(C)c1cc(CCNC(=O)NCCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.61
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.52
GSR P00390 2/20 0.50
ALDH1A1 P00352 4/20 0.47
TSHR P16473 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
MAPK1 P28482 2/20 0.47
BLM P54132 2/20 0.47
ATM Q13315 2/20 0.47
HIF1A Q16665 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPT P10636 2/20 0.47
USP2 O75604 1/20 0.47
CYP2D6 P10635 1/20 0.47
LMNA P02545 3/20 0.47
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GMNN O75496 1/20 0.46

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
SCHEMBL9517378 0.85 GAA (0.57) GAAKMT2AMEN1GSRALDH1A1
SCHEMBL4569533 0.85 GAA (0.83) GAAKMT2AMEN1GSRALDH1A1
SCHEMBL11707336 0.84 FPR2 (0.55) GAAKMT2AMEN1MAPTNPC1
SCHEMBL11703395 0.84 GAA (0.72) GAAKMT2AMEN1GSRMAPT
SCHEMBL11658045 0.84 GAA (0.56) GAAKMT2AMEN1GSRALDH1A1
SCHEMBL4330355 0.83 GAA (0.84) GAAKMT2AMEN1GSRALDH1A1
SCHEMBL9575147 0.83 GAA (0.62) GAAKMT2AMEN1GSRALDH1A1
SCHEMBL11654311 0.83 GAA (0.55) GAAKMT2AMEN1GSRALDH1A1
SCHEMBL9520969 0.83 GAA (0.54) GAAKMT2AMEN1GSRALDH1A1
SCHEMBL14035134 0.82 GSR (0.57) GAAKMT2AMEN1GSRALDH1A1

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
EP-0404039-B1 PHARMACEUTICALS CONTAINING DI-TERT.BUTYLHYDROXYPHENYL-DERIVATIVES AND NEW DERIVATIVES Roche Diagnostics GmbH (DE) 1993-01-13 EP claimed