SCHEMBL8053091

SCHEMBL8053091

CC(=O)N1CCCC1C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(C)C(O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.43
FAP Q12884 1/20 0.43
XIAP P98170 1/20 0.41
CPA1 P15085 1/20 0.41
CPA2 P48052 1/20 0.41
CPA4 Q9UI42 1/20 0.41
F2 P00734 2/20 0.39
ACE P12821 8/20 0.39
REN P00797 4/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
LTA4H P09960 1/20 0.39
MAPT P10636 1/20 0.39
PEPD P12955 1/20 0.39
ALOX15 P16050 1/20 0.39
PTGS1 P23219 1/20 0.39
HTR2A P28223 1/20 0.39
PTGS2 P35354 1/20 0.39
HRH1 P35367 1/20 0.39
THPO P40225 1/20 0.39

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
SCHEMBL8053098 1.00 PREP (0.43) PREPFAPXIAPCPA1CPA2
SCHEMBL11760610 0.85 ACE (0.54) PREPFAPF2ACEREN
SCHEMBL8053385 0.85 ACE (0.54) PREPFAPF2ACEREN
SCHEMBL8054194 0.83 PREP (0.41) PREPFAPXIAPCPA1CPA2
SCHEMBL8054196 0.83 PREP (0.41) PREPFAPXIAPCPA1CPA2
SCHEMBL31181299 0.82 CPA1 (0.47) PREPFAPXIAPCPA1CPA2
SCHEMBL9002891 0.82 PREP (0.57) PREPFAPXIAPF2ACE
SCHEMBL11567385 0.80 PREP (0.45) PREPFAPXIAPCPA1CPA2
SCHEMBL8052318 0.79 PREP (0.42) PREPFAPXIAPCPA1CPA2
SCHEMBL8052315 0.79 PREP (0.42) PREPFAPXIAPCPA1CPA2

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
US-6130315-A SUBSTRATES IN WHICH THE SCISSILE AMIDE BOND HAS BEEN REPLACED BY AN ACTIVATED ELECTROPHILIC KETONE MOIETY; ANTIINFLAMMATORY AGENTS; ANTIPROLIFERATIVE/ANTICARCINOGENIC/ANTIARTHRITIC AGENTS; TREATMENT OF AUTOIMMUNE DISEASES MERRELL PHARMACEUTICALS INC. (US) 2000-10-10 US disclosed
US-5496927-A INHIBITORS OF HUMAN LEUKOCYTE ELASTASE, CATHEPSIN G, CHYMOTRYPSIN MERRELL PHARMACEUTICALS INC. (US) 1996-03-05 US disclosed
EP-0195212-B1 Novel peptidase inhibitors MERRELL DOW PHARMA (US) 1993-11-24 EP disclosed
EP-0195212-A2 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1986-09-24 EP disclosed