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Sugi Predict / Compounds / SCHEMBL4751645

SCHEMBL4751645

SCHEMBL4751645

CCC(C)C(OC(=O)C(C)OC(=O)C(NC(=O)OCc1ccccc1)C(C)O)C(=O)NC(CC(C)C)C(=O)CC(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 11/20 0.47
▸ CTSB P07858 4/20 0.46
▸ REN P00797 1/20 0.45
▸ CTSS P25774 5/20 0.45
▸ CTSL P07711 4/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CAPN1 P07384 1/20 0.43
▸ CAPN2 P17655 1/20 0.43

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
SCHEMBL8107196 1.00 CTSK (0.47) CTSKCTSBRENCTSSCTSL
SCHEMBL4751288 0.91 CTSK (0.44) CTSKCTSBRENCTSSCTSL
SCHEMBL4753911 0.84 CTSK (0.40) CTSKCTSBRENCTSSCTSL
SCHEMBL4753418 0.84 CTSK (0.39) CTSKCTSBRENCTSSCTSL
SCHEMBL4753912 0.84 CTSK (0.39) CTSKCTSBRENCTSSCTSL
SCHEMBL8104699 0.83 CTSL (0.53) CTSKCTSBCTSSCTSLMEN1
SCHEMBL4753420 0.78 SYK (0.50) CTSKCTSBCTSSCTSLMEN1
SCHEMBL4817322 0.75 BIRC2 (0.39) —
SCHEMBL15926429 0.73 CTSB (0.65) CTSKCTSBCTSSCTSLMEN1
SCHEMBL14148468 0.73 CTSB (0.65) CTSKCTSBCTSSCTSLMEN1

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
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