SCHEMBL11275418

SCHEMBL11275418

COC(=O)CC(C)C(=O)N1CC2(CCOO2)C[C@H]1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.36
REN P00797 3/20 0.36
PEPD P12955 2/20 0.32
KDM4E B2RXH2 1/20 0.32
F2 P00734 1/20 0.32
LMNA P02545 1/20 0.32
LTA4H P09960 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
PTGS1 P23219 1/20 0.32
HTR2A P28223 1/20 0.32
PTGS2 P35354 1/20 0.32
HRH1 P35367 1/20 0.32
THPO P40225 1/20 0.32
PMP22 Q01453 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
ABCB11 O95342 1/20 0.31

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
SCHEMBL11258866 0.80 ACE (0.39) ACERENPEPDKDM4EF2
SCHEMBL11258881 0.80 ACE (0.39) ACERENPEPDKDM4EF2
SCHEMBL10799061 0.79 ACE (0.39) ACEPEPD
SCHEMBL11255108 0.75 ACE (0.53) ACERENABCB11
SCHEMBL11255102 0.74 ACE (0.36) ACERENPEPDKDM4EF2
SCHEMBL11562011 0.69 ACE (0.74) ACERENPEPDKDM4EF2
SCHEMBL11268645 0.67 ACE (0.51) ACERENPEPDKDM4EF2
SCHEMBL11268639 0.67 ACE (0.51) ACERENPEPDKDM4EF2
SCHEMBL11258395 0.64 ABCB11 (0.56) ACERENABCB11
SCHEMBL11258386 0.64 ABCB11 (0.39) ACERENABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4311705-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-01-19 US disclosed