SCHEMBL8580684

SCHEMBL8580684

CCOC(=O)C[C@@H](NC(C)=O)C(=S)NCCO[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TTPA P49638 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL8579274 1.00 MGAM (0.33) MGAMGAASIMGAM2MEN1
SCHEMBL8850006 0.88 MEN1 (0.31) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL8581700 0.86 MEN1 (0.34) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL8579640 0.86 MEN1 (0.34) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL8579509 0.85 MEN1 (0.35) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL8581658 0.85 CYP2D6 (0.32) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL8583342 0.83 MEN1 (0.34) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL8581373 0.82 MEN1 (0.32) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL8580377 0.82 MEN1 (0.32) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL8581764 0.82 TTPA (0.30) TTPA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5705527-A VASODILATORS AND ANGINA PECTORIS SANKYO COMPANY, LIMITED (JP) 1998-01-06 US disclosed
EP-0641769-B1 AMINO ACID DERIVATIVE SANKYO CO (JP) 1997-01-29 EP disclosed
EP-0641769-A1 AMINO ACID DERIVATIVE SANKYO COMPANY LIMITED (JP) 1995-03-08 EP disclosed