SCHEMBL8097553

SCHEMBL8097553

COC(=O)CC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.56
CTSL P07711 2/20 0.56
CTSS P25774 2/20 0.56
CTSB P07858 1/20 0.56
CAPN1 P07384 1/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
REN P00797 3/20 0.47
HTT P42858 2/20 0.44
AAK1 Q2M2I8 1/20 0.44
CYP2D6 P10635 1/20 0.43
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAP1LC3B Q9GZQ8 1/20 0.40
MAP1LC3A Q9H492 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
SCHEMBL10534425 0.92 CTSK (0.57) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL10534413 0.88 CTSK (0.53) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL10537886 0.87 CYP1A2 (0.54) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL9692057 0.86 CTSK (0.61) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL10535044 0.86 CTSK (0.61) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL4751261 0.85 CTSL (0.48) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL22542469 0.84 CTSK (0.50) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL17710296 0.84 CTSK (0.54) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL11023873 0.84 CTSK (0.58) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL22757739 0.84 CTSK (0.58) CTSKCTSLCTSSCTSBCAPN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008151306-A1 SYNTHESIS OF CYCLODEPSIPEPTIDE COMPOUNDS HAVING ANTINEOPLASTIC AND/OR ANTIMICROBIAL ACTIVITY ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2008-12-11 WO disclosed
US-4755592-A Statine-containing peptides useful in medicaments MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-07-05 US disclosed
US-4746649-A Diamino acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1988-05-24 US disclosed
EP-0198271-A2 Peptides MERCK PATENT GmbH (DE) 1986-10-22 EP disclosed