SCHEMBL7845173

SCHEMBL7845173

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1C(O)C(=O)NC1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.56
KMT2A Q03164 2/20 0.51
F2 P00734 1/20 0.50
PRSS1 P07477 1/20 0.50
KLK5 Q9Y337 1/20 0.50
SCN9A Q15858 3/20 0.49
MAPK1 P28482 1/20 0.48
CTSS P25774 2/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSK P43235 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CMA1 P23946 4/20 0.47

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
SCHEMBL7852898 0.99 ACE (0.55) ACEKMT2AF2PRSS1KLK5
SCHEMBL7854074 0.99 ACE (0.55) ACEKMT2AF2PRSS1KLK5
SCHEMBL7851530 0.99 ACE (0.55) ACEKMT2AF2PRSS1KLK5
SCHEMBL7852896 0.97 ACE (0.56) ACEKMT2AF2PRSS1KLK5
SCHEMBL7855475 0.86 ACE (0.54) ACECTSSCTSLCTSBCTSK
SCHEMBL7855242 0.86 KDM4E (0.63) ACEKMT2AL3MBTL1KDM4E
Hydrochloric Acid SCHEMBL7851195 0.86 ACE (0.53) ACECTSSCTSLCTSBCTSK
SCHEMBL7851592 0.84 ALDH1A1 (0.54) ACEKDM4E
SCHEMBL7843901 0.83 ACE (0.59) ACEKMT2AF2PRSS1KLK5
SCHEMBL7852935 0.82 ALDH1A1 (0.48) ACEL3MBTL1KDM4E

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