SCHEMBL7855475

SCHEMBL7855475

O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC1C(O)C(=O)NC1CCCCC1)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.54
REN P00797 1/20 0.49
EPHX1 P07099 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CTSK P43235 7/20 0.47
CTSS P25774 5/20 0.47
CTSL P07711 3/20 0.47
PREP P48147 2/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
CTSB P07858 2/20 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
Hydrochloric Acid SCHEMBL7851195 0.99 ACE (0.53) ACERENEPHX1ALDH1A1KDM4E
SCHEMBL7854074 0.88 ACE (0.55) ACEALDH1A1KDM4ECTSKCTSS
SCHEMBL7852898 0.88 ACE (0.55) ACEALDH1A1KDM4ECTSKCTSS
SCHEMBL7851530 0.88 ACE (0.55) ACEALDH1A1KDM4ECTSKCTSS
SCHEMBL7851592 0.87 ALDH1A1 (0.54) ACEALDH1A1KDM4E
SCHEMBL7855242 0.87 KDM4E (0.63) ACEALDH1A1KDM4E
SCHEMBL7845173 0.86 ACE (0.56) ACEKDM4ECTSKCTSSCTSL
SCHEMBL7856547 0.86 CAPN1 (0.52) EPHX1ALDH1A1CTSKCTSSCTSL
SCHEMBL7853918 0.84 CTSL (0.48) ALDH1A1KDM4ECTSL
SCHEMBL7852896 0.84 ACE (0.56) ACECTSKCTSSCTSLCTSB

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