SCHEMBL8036078

SCHEMBL8036078

Cc1cc(C)cc(N(C)C(=O)COc2ccccc2N(CCC2OCCCO2)C(=O)CNC(=O)Nc2cccc(CC(=O)O)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
BDKRB2 P30411 4/20 0.32
PARP1 P09874 1/20 0.32
ITGB1 P05556 2/20 0.32
ITGA4 P13612 2/20 0.32
HPSE Q9Y251 1/20 0.32
PTGIR P43119 2/20 0.31

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
SCHEMBL8030159 0.94 KMT2A (0.38) TP53MEN1GAAKMT2APARP1
SCHEMBL8030164 0.91 ALDH1A1 (0.37) TP53MEN1GAAKMT2ABDKRB2
SCHEMBL8020871 0.90 CNR1 (0.35) MEN1GAAKMT2ABDKRB2HPSE
SCHEMBL8030482 0.90 CNR1 (0.37) MEN1GAAKMT2ABDKRB2
SCHEMBL8030147 0.87 KMT2A (0.36) MEN1GAAKMT2ABDKRB2ITGB1
SCHEMBL8030430 0.87 MEN1 (0.36) MEN1GAAKMT2ABDKRB2HPSE
SCHEMBL8020746 0.87 MEN1 (0.35) MEN1GAAKMT2ABDKRB2ITGB1
SCHEMBL8029560 0.86 MEN1 (0.36) MEN1GAAKMT2ABDKRB2
SCHEMBL8020734 0.86 KMT2A (0.40) MEN1GAAKMT2ABDKRB2ITGB1
SCHEMBL8020735 0.85 MEN1 (0.36) MEN1GAAKMT2ABDKRB2ITGB1

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-0985660-A1 AMINOPHENOL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed