SCHEMBL12829139

SCHEMBL12829139

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCC(N)=O

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 12/20 0.72
▸ CAPN1 P07384 1/20 0.70
▸ CAPN2 P17655 1/20 0.70
▸ CTSS P25774 6/20 0.70
▸ CTSL P07711 2/20 0.70
▸ CTSB P07858 1/20 0.70
▸ CA5A P35218 1/20 0.67
▸ CA1 P00915 1/20 0.64
▸ PSMB1 P20618 1/20 0.64

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
SCHEMBL25238189 0.90 CTSK (0.69) CTSKCAPN1CAPN2CTSSCTSL
SCHEMBL25282460 0.90 CTSK (0.69) CTSKCAPN1CAPN2CTSSCTSL
SCHEMBL9115066 0.88 CAPN1 (0.80) CTSKCAPN1CAPN2CTSSCTSL
SCHEMBL8172435 0.88 CAPN1 (0.70) CTSKCAPN1CAPN2CTSSCTSL
SCHEMBL29052549 0.87 CTSK (0.77) CTSKCAPN1CAPN2CTSSCTSL
SCHEMBL29052552 0.87 CTSK (0.77) CTSKCAPN1CAPN2CTSSCTSL
SCHEMBL14067668 0.87 CTSK (0.77) CTSKCAPN1CAPN2CTSSCTSL
SCHEMBL6361583 0.84 CTSK (0.76) CTSKCAPN1CAPN2CTSSCTSL
SCHEMBL5443106 0.84 CAPN1 (0.74) CTSKCAPN1CAPN2CTSSCTSL
SCHEMBL7183327 0.84 CTSK (0.73) CTSKCAPN1CAPN2CTSSCTSL

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-2289887-A2 Epoxycarboxylic acid amides, azides and amino alcohols and processes for preparation of alpha-keto amides by using them SEIKAGAKU CORPORATION (JP) 2011-03-02 — — EP disclosed
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