SCHEMBL9565732

SCHEMBL9565732

CCN1C(=O)C(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)N(CC)C1=O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 1/20 0.57
SRC P12931 1/20 0.57
GAA P10253 2/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
PTGS2 P35354 4/20 0.47
PTGS1 P23219 3/20 0.47
SIRT1 Q96EB6 1/20 0.46
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
IGF1R P08069 1/20 0.46
GABBR2 O75899 1/20 0.45
GABBR1 Q9UBS5 1/20 0.45
ALOX5 P09917 1/20 0.44

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
SCHEMBL9565719 0.75 ALDH1A1 (0.56) EEF2KSRCGAAMEN1ALDH1A1
SCHEMBL9565720 0.75 ALDH1A1 (0.56) EEF2KSRCGAAMEN1ALDH1A1
SCHEMBL16971041 0.73 EEF2K (1.00) EEF2KSRCGAAMEN1ALDH1A1
SCHEMBL9565698 0.73 EEF2K (0.52) EEF2KSRCGAAMEN1ALDH1A1
SCHEMBL8580798 0.73 CYP1A2 (0.48) EEF2KSRCGAACYP1A2CYP2C9
SCHEMBL9565718 0.72 EEF2K (0.51) EEF2KSRCGAAMEN1ALDH1A1
SCHEMBL5505714 0.71 CYP1A2 (0.52) EEF2KSRCGAAMEN1ALDH1A1
SCHEMBL9814650 0.71 CYP1A2 (0.59) EEF2KSRCCYP1A2CYP2C9PTGS2
SCHEMBL9814646 0.71 CYP1A2 (0.59) EEF2KSRCCYP1A2CYP2C9PTGS2
SCHEMBL9565699 0.71 SIRT1 (0.52) EEF2KSRCGAAMEN1ALDH1A1

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