SCHEMBL7274680

SCHEMBL7274680

CC(C)(C)OC(=O)NCC(=O)NC(CC(=O)O)C(=O)CF

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 13/20 0.42
▸ CASP7 P55210 1/20 0.40
▸ CASP9 P55211 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ CASP8 Q14790 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CTSS P25774 3/20 0.37
▸ CTSK P43235 3/20 0.37
▸ ACE P12821 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 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
SCHEMBL13884482 0.86 MEN1 (0.45) MEN1GAAKMT2ACTSSCTSK
SCHEMBL7393270 0.86 MEN1 (0.45) MEN1GAAKMT2ACTSSCTSK
SCHEMBL31419788 0.86 CASP3 (0.46) CASP3CASP7CASP9CASP6CASP8
SCHEMBL9800645 0.85 MEN1 (0.41) MEN1GAAKMT2ACTSSCTSK
SCHEMBL7799440 0.76 SYK (0.44) MEN1GAAKMT2ACTSSCTSK
SCHEMBL24130649 0.76 MEN1 (0.46) MEN1GAAKMT2ACTSSCTSK
SCHEMBL16765446 0.76 MEN1 (0.46) MEN1GAAKMT2ACTSSCTSK
SCHEMBL16790408 0.76 MEN1 (0.46) MEN1GAAKMT2ACTSSCTSK
SCHEMBL23445969 0.75 FOLH1 (0.47) MEN1GAAKMT2ACTSSCTSK
SCHEMBL9695489 0.75 FOLH1 (0.47) MEN1GAAKMT2ACTSSCTSK

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
US-4518528-A α Amino fluoro ketones MP BIOMEDICALS, LLC 1985-05-21 — — US disclosed
EP-0130679-A2 Alpha amino fluoro ketones ENZYME SYSTEMS PRODUCTS INC. (US) 1985-01-09 — — EP disclosed
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