SCHEMBL7435297

SCHEMBL7435297

CSCC(=O)[C@H](CCc1ccccc1)NC(=O)CCCCNC(=O)COc1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 2/20 0.45
CYP2C19 P33261 1/20 0.45
PTPN1 P18031 1/20 0.44
HDAC1 Q13547 1/20 0.43
PKM P14618 1/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 3/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL7301633 0.85 ALDH1A1 (0.51) KMT2AMEN1GAARAB9AKDM4E
SCHEMBL7302949 0.81 POLB (0.43) KMT2AMEN1GAAPTPN1HDAC1
SCHEMBL7303788 0.77 ALDH1A1 (0.52) KMT2AMEN1GAARAB9AKDM4E
SCHEMBL7435291 0.75 CTSL (0.50) ALDH1A1POLB
SCHEMBL7435315 0.75 CTSL (0.50) ALDH1A1POLB
SCHEMBL7311204 0.75 ALDH1A1 (0.49) KMT2ARAB9ACYP2C19HDAC1MAPT
SCHEMBL7302470 0.74 ALDH1A1 (0.49) KMT2ARAB9ACYP2C19HDAC1PKM
SCHEMBL7313009 0.70 ALDH1A1 (0.46) KMT2AGAARAB9AKDM4ECYP2C19
SCHEMBL7307771 0.70 ALDH1A1 (0.47) KMT2AMEN1GAARAB9ACYP2C19
SCHEMBL17117372 0.70 HPGD (0.65) KMT2AGAAHTTPTPN1MAPT

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
EP-0525420-B1 Pseudopeptides and dipeptides characterised by a substituted methyl ketone moiety at the C-terminus as thiol protease inhibitors MITSUBISHI CHEM CORP (JP) 1999-05-12 EP disclosed
US-5834508-A PROTEASE ENZYME INHIBITORS; MUSCLE DISORDERS MITSUBISHI CHEMICAL CORPORATION (JP) 1998-11-10 US disclosed
US-5639783-A POTENT PROTEASE INHIBITOR FOR TREATING MUSCULAR, NERVOUS SYSTEM DISEASES MITSUBISHI CHEMICAL CORPORATION (JP) 1997-06-17 US disclosed