SCHEMBL8527341

SCHEMBL8527341

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

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.53
MME P08473 1/20 0.49
ECE1 P42892 1/20 0.49
CTRB1 P17538 2/20 0.48
PSMB1 P20618 1/20 0.47
PSMB5 P28074 1/20 0.47
PSMB2 P49721 1/20 0.47
CTSB P07858 2/20 0.47
CTSL P07711 1/20 0.47
CTSH P09668 1/20 0.47

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
SCHEMBL11888311 1.00 CTSK (0.53) CTSKMMEECE1CTRB1PSMB1
SCHEMBL3397821 0.89 CTSK (0.55) CTSKMMEECE1CTRB1PSMB1
SCHEMBL116395 0.87 CTSK (0.56) CTSKCTRB1PSMB1PSMB5PSMB2
SCHEMBL8458845 0.86 CTRB1 (0.50) CTSKMMEECE1CTRB1PSMB1
SCHEMBL7349773 0.86 CTRB1 (0.50) CTSKMMEECE1CTRB1PSMB1
SCHEMBL20953619 0.86 CTSK (0.55) CTSKCTRB1PSMB1PSMB5PSMB2
SCHEMBL14285574 0.86 CTSK (0.55) CTSKCTRB1PSMB1PSMB5PSMB2
SCHEMBL7732224 0.85 CTSK (0.63) CTSKCTRB1CTSBCTSL
SCHEMBL14527881 0.84 CTSK (0.65) CTSKCTSBCTSLCTSH
SCHEMBL7417702 0.84 CTSK (0.65) CTSKCTSBCTSLCTSH

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-5821331-A INHIBIT THE PROTEOLYTIC ACTIVITY OF PROTEASES ELI LILLY AND COMPANY (US) 1998-10-13 US disclosed
EP-0386611-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-09-12 EP disclosed