SCHEMBL9622786

SCHEMBL9622786

CC(=O)Cl.CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.49
FAP Q12884 1/20 0.49
ACE2 Q9BYF1 2/20 0.40
XIAP P98170 1/20 0.39
CMA1 P23946 1/20 0.39
ELANE P08246 1/20 0.39
ACE P12821 6/20 0.37
REN P00797 3/20 0.37
KDM4E B2RXH2 1/20 0.37
F2 P00734 1/20 0.37
LMNA P02545 1/20 0.37
LTA4H P09960 1/20 0.37
MAPT P10636 1/20 0.37
PEPD P12955 1/20 0.37
ALOX15 P16050 1/20 0.37
PTGS1 P23219 1/20 0.37
HTR2A P28223 1/20 0.37
PTGS2 P35354 1/20 0.37
HRH1 P35367 1/20 0.37
THPO P40225 1/20 0.37

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
SCHEMBL9002891 0.92 PREP (0.57) PREPFAPACE2XIAPCMA1
SCHEMBL9622782 0.91 PREP (0.46) PREPFAPACE2XIAPCMA1
SCHEMBL8961236 0.86 PREP (0.49) PREPFAPACE2XIAPCMA1
SCHEMBL8611208 0.86 PREP (0.49) PREPFAPACE2XIAPCMA1
SCHEMBL8922480 0.86 PREP (0.49) PREPFAPACE2XIAPCMA1
SCHEMBL11378675 0.84 PREP (0.57) PREPFAPACE2ACEREN
SCHEMBL11378678 0.84 PREP (0.57) PREPFAPACE2ACEREN
SCHEMBL10749206 0.83 XIAP (0.49) PREPFAPACE2XIAPCMA1
SCHEMBL10749197 0.83 XIAP (0.49) PREPFAPACE2XIAPCMA1
SCHEMBL8001876 0.83 XIAP (0.49) PREPFAPACE2XIAPELANE

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-0145441-B1 ALPHA-AMINOBORONIC ACID PEPTIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-11 EP disclosed
EP-0145441-A2 Alpha-aminoboronic acid peptides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-06-19 EP disclosed
US-4499082-A INHIBITORS OF PROTEOLYTIC ENZYMES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-02-12 US disclosed