SCHEMBL7273440

SCHEMBL7273440

CNC(=O)C(Cc1ccc(O)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.72
CTSK P43235 7/20 0.72
CTSB P07858 2/20 0.57
CTSL P07711 1/20 0.57
HDAC8 Q9BY41 1/20 0.53
MMP1 P03956 2/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
AKT1 P31749 1/20 0.50
BCL2 P10415 1/20 0.50
PPARA Q07869 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
ACE P12821 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
SCHEMBL5188418 1.00 CTSS (0.72) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL5188769 1.00 CTSS (0.72) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL3477448 0.92 CTSS (0.62) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL1255725 0.90 CTSS (0.69) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL2928795 0.88 CTSS (0.78) CTSSCTSKCTSBCTSLAKT1
SCHEMBL21676277 0.88 CTSS (0.70) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL31633736 0.88 CTSS (0.70) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL8268491 0.88 CTSS (0.57) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL6549566 0.88 CTSS (0.72) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL4382913 0.88 CTSS (0.70) CTSSCTSKCTSBCTSLHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020141460-A2 COMPOUNDS COMPRISING CLEAVABLE LINKER AND USES THEREOF INTOCELL, INC. (KR) 2020-07-09 WO disclosed
WO-2020141459-A1 COMPOUNDS COMPRISING CLEAVABLE LINKER AND USES THEREOF INTOCELL, INC. (KR) 2020-07-09 WO disclosed
CN-103951821-A Polyethylene glycol-supported bis(S)-2-(4'-benzyloxy)-N-methyl ethane-1,2-diamine and preparation method and application thereof UNIV HUBEI 2014-07-30 CN disclosed
EP-0498665-B1 Hydroxamic acids derivatives, process for their preparation and use thereof BRITISH BIOTECH PHARM (GB) 1996-04-24 EP disclosed
WO-1992013831-A1 HYDROXAMIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND USE THEREOF BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-08-20 WO disclosed
EP-0498665-A1 Hydroxamic acids derivatives, process for their preparation and use thereof BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1992-08-12 EP disclosed