SCHEMBL8884060

SCHEMBL8884060

CCOC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.61
CTSS P25774 3/20 0.54
CTSK P43235 2/20 0.54
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
PSEN1 P49768 2/20 0.51
PSEN2 P49810 2/20 0.51
APH1B Q8WW43 2/20 0.51
NCSTN Q92542 2/20 0.51
APH1A Q96BI3 2/20 0.51
PSENEN Q9NZ42 2/20 0.51
MAPK1 P28482 1/20 0.49

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
SCHEMBL9011111 0.95 REN (0.66) RENCTSSCTSKCTSLCTSB
SCHEMBL9011112 0.95 REN (0.66) RENCTSSCTSKCTSLCTSB
SCHEMBL10880715 0.88 REN (0.70) RENCTSSCTSKCTSLCTSB
SCHEMBL9551300 0.87 REN (0.66) RENCTSSCTSKCTSLCTSB
SCHEMBL15255353 0.87 REN (0.66) RENCTSSCTSKCTSLCTSB
SCHEMBL23106755 0.87 REN (0.68) RENCTSSCTSKCTSLCTSB
SCHEMBL1913543 0.87 REN (0.68) RENCTSSCTSKCTSLCTSB
SCHEMBL18229265 0.87 REN (0.68) RENCTSSCTSKCTSLCTSB
SCHEMBL22962098 0.87 REN (0.68) RENCTSSCTSKCTSLCTSB
SCHEMBL6857159 0.87 REN (0.68) RENCTSSCTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639885-A Redox amino acids and peptides containing them UNIVERSITY OF FLORIDA (US) 1997-06-17 US disclosed
EP-0293071-B1 REDOX AMINO ACIDS AND PEPTIDES CONTAINING THEM UNIVERSITY OF FLORIDA (US) 1993-09-01 EP disclosed
US-5079366-A To derivatize pharmaceutical peptides for transport across the blood/brain barrier UNIVERSITY OF FLORIDA (US) 1992-01-07 US disclosed
US-4888427-A DIHYDROPYRIDINE-PYRIDINIUM SALT REDOX SYSTEM UNIVERSITY OF FLORIDA (US) 1989-12-19 US disclosed
EP-0293071-A1 Redox amino acids and peptides containing them UNIVERSITY OF FLORIDA (US) 1988-11-30 EP disclosed