SCHEMBL7525536

SCHEMBL7525536

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCc1ccc(O)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.58
CTSK P43235 10/20 0.58
LCK P06239 1/20 0.57
CTSB P07858 4/20 0.56
CTSL P07711 2/20 0.55
ERCC1 P07992 2/20 0.54
ERCC4 Q92889 2/20 0.54
AKT1 P31749 1/20 0.48

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
SCHEMBL7152899 0.94 CTSS (0.67) CTSSCTSKLCKCTSBCTSL
SCHEMBL7522969 0.88 CTSS (0.56) CTSSCTSKCTSBCTSLAKT1
SCHEMBL15800056 0.88 CTSS (0.56) CTSSCTSKLCKCTSBCTSL
SCHEMBL12972258 0.87 CTSS (0.55) CTSSCTSKCTSBCTSLAKT1
SCHEMBL4653261 0.87 CTSS (0.54) CTSSCTSKLCKCTSBCTSL
SCHEMBL30829409 0.85 ACE (0.60) CTSSCTSKCTSBCTSL
SCHEMBL1172086 0.85 ACE (0.60) CTSSCTSKCTSBCTSL
SCHEMBL4786137 0.85 ACE (0.60) CTSSCTSKCTSBCTSL
SCHEMBL8364977 0.85 CTSS (0.51) CTSSCTSKLCKCTSBCTSL
SCHEMBL3013717 0.84 LCK (0.64) CTSSCTSKLCKCTSBCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165492-A1 HYDROXYPHENYL DERIVATIVES WITH HIV INTEGRASE INHIBITORY PROPERTIES Pharmacor Inc. (CA) 2002-01-02 EP disclosed
WO-2000059867-A1 HYDROXYPHENYL DERIVATIVES WITH HIV INTEGRASE INHIBITORY PROPERTIES PHARMACOR INC. (CA) 2000-10-12 WO disclosed