SCHEMBL8580542

SCHEMBL8580542

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL8581702 1.00 MEN1 (0.33) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL5967595 0.84 ZDHHC7 (0.32) MEN1KMT2A
SCHEMBL5967597 0.80 TLR2 (0.32) —
SCHEMBL8581695 0.80 TLR2 (0.34) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL8579632 0.80 TLR2 (0.34) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL5967572 0.78 MME (0.33) —
SCHEMBL5967623 0.77 — —
SCHEMBL8579507 0.76 TLR2 (0.35) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL8582094 0.76 CA12 (0.40) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL8581441 0.76 MEN1 (0.32) MEN1KMT2ACYP2C9ALOX15CYP2C19

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
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