SCHEMBL9129353

SCHEMBL9129353

CN1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)N(c2ccccc2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.57
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
EEF2K O00418 1/20 0.49
SRC P12931 1/20 0.49
EGFR P00533 1/20 0.48
ERBB2 P04626 1/20 0.48
IGF1R P08069 1/20 0.48
MAPT P10636 2/20 0.45
CTRC Q99895 1/20 0.45
HPGD P15428 1/20 0.45
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
ALOX5 P09917 1/20 0.41

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
SCHEMBL9129357 1.00 SIRT1 (0.57) SIRT1ALDH1A1GAAMEN1KMT2A
SCHEMBL9565691 0.89 MEN1 (0.48) SIRT1ALDH1A1GAAMEN1KMT2A
SCHEMBL9565692 0.89 MEN1 (0.48) SIRT1ALDH1A1GAAMEN1KMT2A
SCHEMBL9565687 0.84 SIRT1 (0.54) SIRT1ALDH1A1GAAMEN1KMT2A
SCHEMBL9565688 0.84 SIRT1 (0.54) SIRT1ALDH1A1GAAMEN1KMT2A
SCHEMBL9565698 0.81 EEF2K (0.52) SIRT1ALDH1A1GAAMEN1KMT2A
SCHEMBL9565707 0.81 MAPT (0.68) SIRT1ALDH1A1GAAMEN1KMT2A
SCHEMBL9565701 0.81 MAPT (0.68) SIRT1ALDH1A1GAAMEN1KMT2A
SCHEMBL8539935 0.81 MAPT (0.57) SIRT1ALDH1A1GAAMEN1KMT2A
SCHEMBL9565708 0.81 MAPT (0.68) SIRT1ALDH1A1GAAMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7053380-A None JP disclosed
JP-5213755-A None JP disclosed
JP-H0753380-A THERAPEUTIC AGENT FOR HYPERLIPEMIA AND HYPERURICEMIA JAPAN ENERGY CORP 1995-02-28 JP disclosed
JP-H05213755-A THERAPEUTIC AGENT FOR HEPATOPATHY NIKKO KYODO CO LTD 1993-08-24 JP disclosed
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