SCHEMBL13619734

SCHEMBL13619734

C[C@H](N)CC(=O)NNC(=O)SCC(=O)N1CCCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 2/20 0.50
GAA P10253 1/20 0.49
CTSL P07711 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 6/20 0.47
PKM P14618 2/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 3/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
NOTUM Q6P988 1/20 0.45

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
SCHEMBL12370614 0.82 CTSL (0.64) GRM7GAACTSLMEN1KMT2A
SCHEMBL12372032 0.82 CTSL (0.53) GRM7GAACTSLMEN1KMT2A
SCHEMBL12370609 0.82 CTSL (0.53) GRM7GAACTSLMEN1KMT2A
SCHEMBL12371543 0.81 CTSL (0.60) GRM7GAACTSLMEN1KMT2A
SCHEMBL12372031 0.77 CTSL (0.58) GRM7GAACTSLMEN1KMT2A
SCHEMBL12370558 0.76 CTSL (0.68) GRM7GAACTSLMEN1KMT2A
SCHEMBL12370550 0.75 CTSL (0.66) GRM7GAACTSLMEN1KMT2A
SCHEMBL12371583 0.74 CTSL (0.55) GAACTSLMEN1KMT2AALDH1A1
SCHEMBL12371620 0.74 CTSL (0.55) GAACTSLMEN1KMT2AALDH1A1
SCHEMBL12372025 0.74 CTSL (0.71) GRM7GAACTSLMEN1KMT2A

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-2009136997-A2 INHIBITORS OF HUMAN CATHEPSIN L, CATHEPSIN B, AND CATHEPSIN S THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-11-12 WO disclosed