SCHEMBL5168741

SCHEMBL5168741

CC(C)(C)OC(=O)NCC1CN1[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.47
CTSK P43235 4/20 0.47
CTSB P07858 2/20 0.47
CTSL P07711 1/20 0.47
AKT1 P31749 1/20 0.47
ACE P12821 2/20 0.46
ATM Q13315 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.43
SYK P43405 1/20 0.42
MAPK1 P28482 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
SCHEMBL5166032 1.00 CTSS (0.47) CTSSCTSKCTSBCTSLAKT1
Hydrochloric Acid SCHEMBL7952971 0.99 CTSS (0.47) CTSSCTSKCTSBCTSLAKT1
Hydrochloric Acid SCHEMBL7941347 0.99 CTSS (0.47) CTSSCTSKCTSBCTSLAKT1
SCHEMBL5168538 0.78 KMT2A (0.51) CTSSCTSKCTSBCTSLKMT2A
SCHEMBL5167552 0.78 KMT2A (0.51) CTSSCTSKCTSBCTSLKMT2A
Hydrochloric Acid SCHEMBL7200271 0.76 KMT2A (0.50) CTSSCTSKCTSBCTSLKMT2A
Hydrochloric Acid SCHEMBL7947555 0.76 KMT2A (0.50) CTSSCTSKCTSBCTSLKMT2A
SCHEMBL6689176 0.76 ACE (0.50) ACEATMKMT2AMAPK1
SCHEMBL7733119 0.76 ACE (0.50) ACEATMKMT2AMAPK1
Hydrochloric Acid SCHEMBL7949418 0.75 ACE (0.49) ACEATMKMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004074316-A1 CONFORMATIONALLY CONSTRAINED BACKBONE CYCLIZED PEPTIDE ANALOGS GILON CHAIM (IL) 2004-09-02 WO claimed
EP-0804468-A1 CONFORMATIONALLY CONSTRAINED BACKBONE CYCLIZED PEPTIDE ANALOG PEPTOR LTD (IL) 1997-11-05 EP claimed
WO-1995033765-A1 CONFORMATIONALLY CONSTRAINED BACKBONE CYCLIZED PEPTIDE ANALOG PEPTOR LTD. (IL) 1995-12-14 WO claimed
EP-0804468-B1 METHOD OF MAKING AN OMEGA-FUNCTIONALIZED AMINO ACID DERIVATIVE DEVELOGEN ISRAEL LTD (IL) 2007-04-25 EP disclosed
WO-2004074316-A1 CONFORMATIONALLY CONSTRAINED BACKBONE CYCLIZED PEPTIDE ANALOGS GILON CHAIM (IL) 2004-09-02 WO disclosed
US-6407059-B1 SOMATOSTATIN-TYPE DRUG PEPTOR LIMITED (IL) 2002-06-18 US disclosed
US-5811392-A BRADYKININ ANTAGONISTS; SOMATOSTATIN ANALOGS YISSUM RESEARCH DEVELOPMENT CO. OF THE HEBREW UNIVERSITY (IL) 1998-09-22 US disclosed
EP-0804468-A1 CONFORMATIONALLY CONSTRAINED BACKBONE CYCLIZED PEPTIDE ANALOG PEPTOR LTD (IL) 1997-11-05 EP disclosed
WO-1995033765-A1 CONFORMATIONALLY CONSTRAINED BACKBONE CYCLIZED PEPTIDE ANALOG PEPTOR LTD. (IL) 1995-12-14 WO disclosed