SCHEMBL8798271

SCHEMBL8798271

COc1cc(NC(=O)N(Cc2cccnc2)CC2CCN(C(=O)OC(C)(C)C)CC2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.47
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
GPR119 Q8TDV5 2/20 0.41
SGMS2 Q8NHU3 3/20 0.40
NAMPT P43490 1/20 0.40
SGMS1 Q86VZ5 2/20 0.39
KDM1A O60341 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
EPHX2 P34913 1/20 0.38
DYRK1A Q13627 1/20 0.38
TGFBR1 P36897 2/20 0.37
TP53 P04637 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
ALDH1A1 P00352 1/20 0.37
STS P08842 1/20 0.36
PIK3CA P42336 1/20 0.36
PRKDC P78527 1/20 0.36

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
SCHEMBL8798633 0.91 SLC2A1 (0.47) SLC2A1GPR119SGMS2SGMS1EPHX2
Hydrochloric Acid SCHEMBL8798541 0.76 ALDH1A1 (0.41) GAAHTTEPHX2ALDH1A1
SCHEMBL8703190 0.71 NAMPT (0.50) GPR119NAMPTKDM1AKEAP1NFE2L2
SCHEMBL2280397 0.71 GPR119 (0.61) GPR119NAMPTKDM1AKEAP1NFE2L2
SCHEMBL4325703 0.70 GPR119 (0.58) GPR119NAMPTKDM1AKEAP1NFE2L2
Hydrochloric Acid SCHEMBL8704585 0.70 KDM4E (0.54) NAMPTALDH1A1
SCHEMBL8799816 0.70 HTT (0.41) GAAHTTALDH1A1
SCHEMBL8777846 0.69 GAA (0.58) GAAHTTALDH1A1
SCHEMBL8702720 0.69 NAMPT (0.61) GPR119NAMPTKDM1AKEAP1NFE2L2
Phosphoric Acid SCHEMBL8798516 0.67 HTT (0.39) GAAHTTALDH1A1

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-0790240-A1 Phenol-derivatives having pharmaceutical activity and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1997-08-20 EP disclosed