SCHEMBL8683255

SCHEMBL8683255

CC(C)CC(NC(=O)OC[C@@H]1CCCCO1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCc1ccco1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 7/20 0.43
CTSK P43235 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40

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
SCHEMBL7305812 1.00 CAPN1 (0.43) CAPN1CTSKCTSLCTSB
SCHEMBL7305799 1.00 CAPN1 (0.43) CAPN1CTSKCTSLCTSB
SCHEMBL7305818 1.00 CAPN1 (0.43) CAPN1CTSKCTSLCTSB
SCHEMBL7438387 0.98 CAPN1 (0.44) CAPN1CTSK
SCHEMBL7438374 0.98 CAPN1 (0.44) CAPN1CTSK
SCHEMBL7438392 0.98 CAPN1 (0.44) CAPN1CTSK
SCHEMBL7438369 0.98 CAPN1 (0.44) CAPN1CTSK
SCHEMBL7437245 0.90 CAPN1 (0.46) CAPN1CTSK
SCHEMBL7437237 0.90 CAPN1 (0.46) CAPN1CTSK
SCHEMBL7305805 0.89 MGLL (0.38)

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
US-5834508-A PROTEASE ENZYME INHIBITORS; MUSCLE DISORDERS MITSUBISHI CHEMICAL CORPORATION (JP) 1998-11-10 US disclosed