SCHEMBL13767369

SCHEMBL13767369

CCCCONC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 7/20 0.70
▸ CTSK P43235 8/20 0.59
▸ CTSL P07711 3/20 0.55
▸ CTSS P25774 3/20 0.54
▸ HTRA1 Q92743 1/20 0.54
▸ CTSB P07858 1/20 0.53

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
SCHEMBL13767153 0.90 CAPN1 (0.78) CAPN1CTSKCTSLCTSSHTRA1
SCHEMBL13767146 0.86 CAPN1 (0.80) CAPN1CTSKCTSLCTSSHTRA1
SCHEMBL13767147 0.86 CAPN1 (0.80) CAPN1CTSKCTSLCTSSHTRA1
SCHEMBL5191078 0.84 CTSK (0.64) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL3356316 0.82 CAPN1 (0.78) CAPN1CTSKCTSLCTSSHTRA1
SCHEMBL31705215 0.81 CAPN1 (0.74) CAPN1CTSKCTSLCTSSHTRA1
SCHEMBL27809377 0.81 CAPN1 (0.78) CAPN1CTSKCTSLCTSSHTRA1
SCHEMBL9828791 0.81 CAPN1 (0.78) CAPN1CTSKCTSLCTSSHTRA1
SCHEMBL7327426 0.81 CAPN1 (0.78) CAPN1CTSKCTSLCTSSHTRA1
SCHEMBL12829138 0.81 CTSK (0.64) CAPN1CTSKCTSLCTSSCTSB

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-1115390-B1 HYDROXAMATE-CONTAINING CYSTEINE AND SERINE PROTEASE INHIBITORS CEPHALON INC (US) 2009-07-22 — — EP disclosed
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