SCHEMBL7386429

SCHEMBL7386429

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.55
REN P00797 4/20 0.55
ACE2 Q9BYF1 2/20 0.55
KDM4E B2RXH2 1/20 0.55
F2 P00734 1/20 0.55
LMNA P02545 1/20 0.55
LTA4H P09960 1/20 0.55
MAPT P10636 1/20 0.55
PEPD P12955 1/20 0.55
ALOX15 P16050 1/20 0.55
PTGS1 P23219 1/20 0.55
HTR2A P28223 1/20 0.55
PTGS2 P35354 1/20 0.55
HRH1 P35367 1/20 0.55
THPO P40225 1/20 0.55
PMP22 Q01453 1/20 0.55
HSD17B10 Q99714 1/20 0.55
RAB9A P51151 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL21348091 0.90 ACE2 (0.48) ACERENACE2KDM4EF2
SCHEMBL10552189 0.86 ACE (0.65) ACERENACE2KDM4EF2
SCHEMBL10552185 0.86 ACE (0.65) ACERENACE2KDM4EF2
SCHEMBL30051880 0.86 REN (0.53) ACERENACE2KDM4EF2
SCHEMBL30051550 0.86 ACE (0.51) ACERENACE2KDM4EF2
SCHEMBL15692328 0.85 ACE (0.52) ACERENACE2KDM4EF2
SCHEMBL29794187 0.85 ACE (0.50) ACERENACE2KDM4EF2
SCHEMBL28346593 0.84 XIAP (0.50) ACE2KMT2A
SCHEMBL30051606 0.84 ACE (0.49) ACERENACE2KDM4EF2
SCHEMBL30661443 0.84 ACE (0.49) ACERENACE2KDM4EF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110627867-A Peptide-like small molecule compound acting on MLL fusion protein 中国药科大学 2019-12-31 CN disclosed
EP-0639585-A1 Elastase inhibitor BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-02-22 EP disclosed