SCHEMBL3140640

SCHEMBL3140640

CC(N)C(=O)N(C(=O)C(NC(=O)OCc1ccccc1)C(C)C)C(CC(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.55
CTSS P25774 5/20 0.55
CTSB P07858 5/20 0.55
CTSK P43235 4/20 0.55
CASP3 P42574 3/20 0.50
CA2 P00918 1/20 0.46
CA5A P35218 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
CA1 P00915 1/20 0.44
ELANE P08246 2/20 0.43
PRTN3 P24158 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
CASP9 P55211 1/20 0.43
CASP6 P55212 1/20 0.43
CASP8 Q14790 1/20 0.43
ECE1 P42892 1/20 0.43

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
SCHEMBL4542765 0.88 CTSL (0.50) CTSLCTSSCTSBCTSKCASP3
SCHEMBL31042480 0.86 CTSL (0.61) CTSLCTSSCTSBCTSKCASP3
Alanine SCHEMBL5485711 0.80 CTSL (0.58) CTSLCTSSCTSBCTSKCASP3
Isopropylamine SCHEMBL10558459 0.79 CTSL (0.59) CTSLCTSSCTSBCTSKCASP3
SCHEMBL31530468 0.78 CTSL (0.62) CTSLCTSSCTSBCTSKMEN1
SCHEMBL15130921 0.78 CTSL (0.72) CTSLCTSSCTSBCTSKMEN1
SCHEMBL220569 0.77 CTSL (0.63) CTSLCTSSCTSBCTSKCASP3
SCHEMBL1287168 0.77 CTSL (0.63) CTSLCTSSCTSBCTSKCASP3
SCHEMBL8671882 0.77 CTSL (0.63) CTSLCTSSCTSBCTSKCASP3
SCHEMBL2978398 0.77 CTSL (0.63) CTSLCTSSCTSBCTSKCASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130316958-A1 HIGHLY POTENT PEPTIDES TO CONTROL CANCER AND NEURODEGENERATIVE DISEASES UNIVERSITY OF SOUTHERN CALIFORNIA 2013-11-28 US disclosed
WO-2012015836-A1 HIGHLY POTENT PEPTIDES TO CONTROL CANCER AND NEURODEGENERATIVE DISEASES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-02-02 WO disclosed
WO-2010011952-A2 HIGHLY POTENT PEPTIDES TO CONTROL CANCER AND NEURODEGENERATIVE DISEASES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2010-01-28 WO disclosed