SCHEMBL8601030

SCHEMBL8601030

CO[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)NOCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.49
MMP1 P03956 2/20 0.49
FCER2 P06734 5/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CTSK P43235 3/20 0.43
CTSL P07711 1/20 0.43
HSP90AA1 P07900 2/20 0.42
HSP90AB1 P08238 2/20 0.42
PSMB5 P28074 1/20 0.42
CTSB P07858 1/20 0.41
CAPN1 P07384 1/20 0.41

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
SCHEMBL6798495 0.86 ECE1 (0.45) ECE1MMP1NPC1RAB9ACTSK
SCHEMBL8872910 0.83 ECE1 (0.52) ECE1MMP1FCER2NPC1RAB9A
SCHEMBL8872913 0.83 ECE1 (0.52) ECE1MMP1FCER2NPC1RAB9A
SCHEMBL10793891 0.77 NPC1 (0.51) NPC1RAB9A
SCHEMBL10793880 0.77 NPC1 (0.51) NPC1RAB9A
SCHEMBL1458342 0.77 ECE1 (0.55) ECE1NPC1RAB9ACTSKPSMB5
SCHEMBL10797269 0.75 LTA4H (0.51) NPC1RAB9ACTSKCTSL
SCHEMBL24252140 0.74 NPC1 (0.51) NPC1RAB9APSMB5
SCHEMBL10790971 0.74 LTA4H (0.53) NPC1RAB9A
SCHEMBL8871593 0.73 FCER2 (0.52) MMP1FCER2PSMB5

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-0821668-A1 DERIVATIVES OF SUCCINAMIDE AND THEIR USE AS METALLOPROTEINASE INHIBITOR BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-02-04 EP disclosed
WO-1996033165-A1 DERIVATIVES OF SUCCINAMIDE AND THEIR USE AS METALLOPROTEINASE INHIBITOR BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-10-24 WO disclosed