SCHEMBL8611222

SCHEMBL8611222

CNC(CCC#N)(C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSS P25774 17/20 0.38
CTSK P43235 15/20 0.38
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
DGAT1 O75907 1/20 0.34

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
SCHEMBL9544252 0.78 CTSK (0.37) MEN1KMT2ACTSSCTSKDGAT1
SCHEMBL9179185 0.78 CTSK (0.37) MEN1KMT2ACTSSCTSKDGAT1
SCHEMBL16268583 0.77 MEN1 (0.51) MEN1KMT2ACTSSCTSKCTSL
SCHEMBL28534490 0.76 DGAT1 (0.45) MEN1KMT2ACTSSCTSKDGAT1
SCHEMBL28323881 0.75 DGAT1 (0.39) MEN1KMT2ACTSSCTSKDGAT1
Ammonia Solution, Strong SCHEMBL28163211 0.74 DGAT1 (0.33) DGAT1
SCHEMBL18248046 0.72 DGAT1 (0.37) DGAT1
SCHEMBL18248114 0.72 DGAT1 (0.37) MEN1KMT2ACTSSCTSKCTSL
SCHEMBL17498185 0.71 MEN1 (0.41) MEN1KMT2ACTSSCTSKCTSL
SCHEMBL16268603 0.69 MEN1 (0.39) MEN1KMT2ACTSSCTSKCTSL

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-0833654-A1 PEPTIDES AND COMPOUNDS THAT BIND TO THE IL-1 RECEPTOR Affymax Technologies N.V. (GB) 1998-04-08 EP disclosed
WO-1996039165-A1 PEPTIDES AND COMPOUNDS THAT BIND TO THE IL-1 RECEPTOR AFFYMAX TECHNOLOGIES N.V. (GB) 1996-12-12 WO disclosed