SCHEMBL5732087

SCHEMBL5732087

CC(C)(C)OC(=O)N[C@H](CCc1nc2ccccc2[nH]1)C(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.61
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
PPARA Q07869 2/20 0.48
CTSS P25774 2/20 0.47
CTSK P43235 2/20 0.47
MAPT P10636 2/20 0.47
PIN1 Q13526 2/20 0.46
TACR1 P25103 1/20 0.46
BCHE P06276 1/20 0.45
GAA P10253 1/20 0.44
GRIN2B Q13224 1/20 0.44
PPARG P37231 1/20 0.44
CHRM1 P11229 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL4936019 1.00 PTPN1 (0.61) PTPN1CYP1A2CYP2C9PPARACTSS
SCHEMBL4936024 1.00 PTPN1 (0.61) PTPN1CYP1A2CYP2C9PPARACTSS
SCHEMBL4934953 0.90 PTPN1 (0.65) PTPN1CYP1A2CYP2C9PPARACTSS
SCHEMBL4934964 0.90 PTPN1 (0.65) PTPN1CYP1A2CYP2C9PPARACTSS
SCHEMBL4935716 0.89 PTPN1 (0.49) PTPN1PPARACTSSCTSKMAPT
SCHEMBL4935704 0.89 PTPN1 (0.49) PTPN1PPARACTSSCTSKMAPT
SCHEMBL4932996 0.88 PTPN1 (0.48) PTPN1PPARACTSSCTSKMAPT
SCHEMBL4932981 0.88 PTPN1 (0.48) PTPN1PPARACTSSCTSKMAPT
SCHEMBL19532698 0.85 PTPN1 (0.58) PTPN1CYP1A2CYP2C9CTSSCTSK
SCHEMBL3881683 0.82 CTSS (0.65) PPARACTSSCTSKMAPTPPARG

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-1707560-A1 HYDROXAMIC ACID DERIVATIVE AND AGE GENERATION INHIBITOR CONTAINING THE DERIVATIVE Kureha Corporation (JP) 2006-10-04 EP disclosed