SCHEMBL7854074

SCHEMBL7854074

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1C(O)C(=O)NC1CCCCCCC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.55
KMT2A Q03164 2/20 0.50
F2 P00734 1/20 0.49
PRSS1 P07477 1/20 0.49
KLK5 Q9Y337 1/20 0.49
KDM4E B2RXH2 1/20 0.49
SCN9A Q15858 2/20 0.48
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CTSS P25774 2/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CMA1 P23946 4/20 0.46

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
SCHEMBL7851530 1.00 ACE (0.55) ACEKMT2AF2PRSS1KLK5
SCHEMBL7852898 1.00 ACE (0.55) ACEKMT2AF2PRSS1KLK5
SCHEMBL7845173 0.99 ACE (0.56) ACEKMT2AF2PRSS1KLK5
SCHEMBL7852896 0.96 ACE (0.56) ACEKMT2AF2PRSS1KLK5
SCHEMBL7855475 0.88 ACE (0.54) ACEKDM4EALDH1A1CTSSCTSL
SCHEMBL7855242 0.87 KDM4E (0.63) ACEKMT2AKDM4EALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL7851195 0.87 ACE (0.53) ACEKDM4EALDH1A1CTSSCTSL
SCHEMBL7851592 0.85 ALDH1A1 (0.54) ACEKDM4EALDH1A1
SCHEMBL7843901 0.84 ACE (0.59) ACEKMT2AF2PRSS1KLK5
SCHEMBL7852935 0.83 ALDH1A1 (0.48) ACEKDM4EALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709373-B1 PYRROLIDINE DERIVATIVE ZAIDAN HOJIN BISEIBUTSU (JP) 2001-10-17 EP disclosed
US-5965556-A KETO-ACID AMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND METHODS FOR INHIBITING THE ACTIVITY OF SERINE PROTEASE OR THIOL PROTEASE BY ADMINISTERING THE DERIVATIVE TO A MAMMAL; ALZHEIMER'S DISEASE ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYUKAI (JP) 1999-10-12 US disclosed
US-5756763-A ENZYME INHIBITOR ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYUKAI (JP) 1998-05-26 US disclosed
EP-0709373-A1 NOVEL PYRROLIDINE DERIVATIVE ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1996-05-01 EP disclosed