SCHEMBL8850006

SCHEMBL8850006

CC(=O)N[C@H](CC(=O)OCC(C)C)C(=S)NCCO[N+](=O)[O-]

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 1/20 0.30

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 0.88 MGAM (0.33) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL8580684 0.88 MGAM (0.33) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL8581700 0.84 MEN1 (0.34) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL8579640 0.84 MEN1 (0.34) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL8581658 0.83 CYP2D6 (0.32) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL8579509 0.80 MEN1 (0.35) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL8581373 0.80 MEN1 (0.32) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL8580377 0.80 MEN1 (0.32) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL8583342 0.78 MEN1 (0.34) MEN1CYP2C9ALOX15CYP2C19KMT2A
SCHEMBL8581764 0.78 TTPA (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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