SCHEMBL9565718

SCHEMBL9565718

CC(C)(C)c1cc(C=C2C(=O)N(C3CCCCC3)C(=O)N(C3CCCCC3)C2=O)cc(C(C)(C)C)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 1/20 0.51
SRC P12931 1/20 0.51
CYP2C9 P11712 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
CREBBP Q92793 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
SIRT1 Q96EB6 1/20 0.44
PTGS2 P35354 4/20 0.43
PTGS1 P23219 3/20 0.42
ALOX5 P09917 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL9565715 0.86 MEN1 (0.55) EEF2KSRCCYP2C9CYP1A2MAPT
SCHEMBL9565714 0.86 MEN1 (0.55) EEF2KSRCCYP2C9CYP1A2MAPT
SCHEMBL9565770 0.83 MAPT (0.43) EEF2KSRCMAPTGAAMEN1
SCHEMBL9565774 0.83 MAPT (0.43) EEF2KSRCMAPTGAAMEN1
SCHEMBL8895510 0.73 PTGS2 (0.56) CYP2C9CYP1A2MAPTHTTGAA
SCHEMBL8933323 0.73 PTGS2 (0.56) CYP2C9CYP1A2MAPTHTTGAA
SCHEMBL9565732 0.72 EEF2K (0.57) EEF2KSRCCYP2C9CYP1A2GAA
SCHEMBL9565698 0.71 EEF2K (0.52) EEF2KSRCCYP2C9CYP1A2MAPT
SCHEMBL8582975 0.70 CYP1A2 (0.47) EEF2KSRCCYP2C9CYP1A2GAA
SCHEMBL9565699 0.69 SIRT1 (0.52) EEF2KSRCCYP2C9CYP1A2CYP2C19

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-0546661-A1 Pyrimidine derivatives, method for preparation thereof and pharmaceutical composition having said derivatives as active elements JAPAN ENERGY CORPORATION (JP) 1993-06-16 EP disclosed