SCHEMBL11330591

SCHEMBL11330591

CC(C)(C)OC(=O)NC(C(=O)O)C(C)(C)c1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.49
CTSK P43235 6/20 0.49
MIF P14174 1/20 0.43
PPARA Q07869 6/20 0.41
PPARG P37231 5/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
ATM Q13315 1/20 0.39
ACE P12821 1/20 0.38
PPARD Q03181 2/20 0.38

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
SCHEMBL11330590 1.00 CTSS (0.49) CTSSCTSKMIFPPARAPPARG
SCHEMBL57550 0.88 CTSS (0.49) CTSSCTSKPPARAPPARGCTSL
SCHEMBL58394 0.88 CTSS (0.49) CTSSCTSKPPARAPPARGCTSL
SCHEMBL5024738 0.88 CTSS (0.49) CTSSCTSKPPARAPPARGCTSL
SCHEMBL3163458 0.87 PPARA (0.52) CTSSCTSKPPARAPPARGCTSL
SCHEMBL6674296 0.87 CTSS (0.50) CTSSCTSKPPARAPPARGCTSL
SCHEMBL2797717 0.87 PPARA (0.48) CTSSCTSKPPARAPPARGCTSL
SCHEMBL6674294 0.87 CTSS (0.50) CTSSCTSKPPARAPPARGCTSL
SCHEMBL2797710 0.87 PPARA (0.48) CTSSCTSKPPARAPPARGCTSL
SCHEMBL9963920 0.87 CTSS (0.50) CTSSCTSKPPARAPPARGCTSL

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
US-4273704-A N-Adamantane-substituted tetrapeptide amides G. D. SEARLE & CO. (US) 1981-06-16 US disclosed