SCHEMBL17040116

SCHEMBL17040116

CCC(NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC)C(=O)Nc1ccc(CBr)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ CTSK P43235 1/20 0.55
▸ KDM1A O60341 10/20 0.53
▸ MAOA P21397 7/20 0.53
▸ RCOR1 Q9UKL0 3/20 0.53
▸ KDM1B Q8NB78 1/20 0.53
▸ HDAC8 Q9BY41 2/20 0.52
▸ SIRT1 Q96EB6 4/20 0.52
▸ SIRT2 Q8IXJ6 3/20 0.52
▸ MAOB P27338 2/20 0.52
▸ SIRT3 Q9NTG7 2/20 0.52

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
SCHEMBL17040013 0.95 SIRT2 (0.55) MEN1LMNAKMT2ACTSKHDAC8
SCHEMBL15062444 0.91 MEN1 (0.65) MEN1LMNAKMT2ACTSKKDM1A
SCHEMBL17039814 0.85 SIRT2 (0.58) SIRT1SIRT2SIRT3
SCHEMBL17040118 0.85 SIRT2 (0.55) MEN1LMNAKMT2ACTSKHDAC8
SCHEMBL17040119 0.83 HDAC8 (0.57) MEN1LMNAKMT2ACTSKHDAC8
SCHEMBL17040115 0.82 HDAC8 (0.55) MEN1LMNAKMT2ACTSKHDAC8
SCHEMBL18099943 0.79 SIRT2 (0.58) SIRT1SIRT2SIRT3
SCHEMBL18099942 0.79 SIRT2 (0.58) SIRT1SIRT2SIRT3
SCHEMBL17040117 0.79 HDAC8 (0.52) MEN1LMNAKMT2ACTSKHDAC8
SCHEMBL13287011 0.79 CTSL (0.62) CTSK

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-2015123783-A1 CATHEPSIN B-TARGETING PROBES THUNDER BAY REGIONAL RESEARCH INSTITUTE (CA) 2015-08-27 — — WO disclosed
Send feedback