SCHEMBL7740137

SCHEMBL7740137

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)C(=O)CF

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.69
CTSK P43235 10/20 0.60
CTSL P07711 10/20 0.60
CTSS P25774 3/20 0.58
HTRA1 Q92743 1/20 0.58
CTSB P07858 4/20 0.57

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
SCHEMBL3165013 0.91 CTSK (0.67) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL9393894 0.90 CAPN1 (0.69) CAPN1CTSKCTSLCTSSHTRA1
SCHEMBL29577004 0.90 CAPN1 (0.64) CAPN1CTSKCTSLCTSSHTRA1
SCHEMBL29678442 0.90 CAPN1 (0.64) CAPN1CTSKCTSLCTSSHTRA1
SCHEMBL14148469 0.88 CAPN1 (0.72) CAPN1CTSKCTSLCTSSHTRA1
SCHEMBL6482122 0.88 CAPN1 (0.72) CAPN1CTSKCTSLCTSSHTRA1
SCHEMBL6276287 0.88 CAPN1 (0.72) CAPN1CTSKCTSLCTSSHTRA1
SCHEMBL3492322 0.88 TACR1 (0.61) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL6825534 0.86 CAPN1 (0.74) CAPN1CTSKCTSLCTSSHTRA1
SCHEMBL931659 0.86 CAPN1 (0.69) CAPN1CTSKCTSLHTRA1CTSB

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
WO-2000063350-A9 CYSTEINE PROTEASE AND INHIBITORS FOR PREVENTION AND TREATMENT OF NEUROCYSTICEROCOSIS UNIV GEORGIA RES FOUND (US) 2002-06-13 WO disclosed
WO-2000063350-A2 CYSTEINE PROTEASE AND INHIBITORS FOR PREVENTION AND TREATMENT OF NEUROCYSTICEROCOSIS THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2000-10-26 WO disclosed