SCHEMBL4751604

SCHEMBL4751604

COC(=O)C(NC(=O)OCc1ccccc1)C(C)OC(=O)C(CC(C)C)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.45
ATM Q13315 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
CTSS P25774 3/20 0.43
CTSL P07711 2/20 0.43
CTSB P07858 1/20 0.43
CAPN1 P07384 1/20 0.42

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
SCHEMBL23392518 0.87 ATM (0.52) CTSKATMTRPM8CTSSCTSL
SCHEMBL15936982 0.87 ATM (0.52) CTSKATMTRPM8CTSSCTSL
SCHEMBL17351827 0.87 ATM (0.52) CTSKATMTRPM8CTSSCTSL
SCHEMBL4751609 0.85 CTSL (0.41) CTSKCTSSCTSLCTSB
SCHEMBL4751711 0.84 SYK (0.41) CTSKCTSSCTSLCTSB
SCHEMBL23455705 0.79 ATM (0.53) CTSKATMCTSSCTSLCTSB
SCHEMBL17352430 0.79 ATM (0.53) CTSKATMCTSSCTSLCTSB
SCHEMBL23455707 0.79 ATM (0.53) CTSKATMCTSSCTSLCTSB
SCHEMBL6487029 0.79 ATM (0.53) CTSKATMCTSSCTSLCTSB
SCHEMBL5192939 0.77 TRPM8 (0.60) CTSKATMTRPM8CTSSCTSL

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