SCHEMBL9052976

SCHEMBL9052976

CCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C.CCC[N]

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.71
CTSK P43235 10/20 0.71
CTSB P07858 4/20 0.57
CTSL P07711 2/20 0.57
AKT1 P31749 1/20 0.53
PTPN1 P18031 3/20 0.49
PTPRA P18433 1/20 0.49
CHRND Q07001 2/20 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
SCHEMBL9053570 0.95 CTSS (0.73) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2928795 0.90 CTSS (0.78) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2929067 0.87 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1
SCHEMBL5665787 0.87 CTSS (0.67) CTSSCTSKPTPN1PTPRACHRND
SCHEMBL21318569 0.87 CTSS (0.67) CTSSCTSKPTPN1PTPRACHRND
SCHEMBL20866077 0.86 CTSS (0.73) CTSSCTSKCTSBCTSLAKT1
SCHEMBL21068130 0.86 CTSS (0.73) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2922548 0.86 CTSS (0.73) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2927886 0.86 CTSS (0.73) CTSSCTSKCTSBCTSLAKT1
SCHEMBL6021008 0.84 CTSS (0.81) CTSSCTSKCTSBCTSLAKT1

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-1996001865-A1 MULTIHYDROXY-FUNCTIONAL OLIGOPHENYLENE OXIDE DSM N.V. (NL) 1996-01-25 WO disclosed