SCHEMBL11213006

SCHEMBL11213006

COC1(OC)C[C@@H](C(=O)O)N(C(=O)C[C@H](C)S)C1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.31
REN P00797 2/20 0.31
KDM4E B2RXH2 1/20 0.31
F2 P00734 1/20 0.31
LMNA P02545 1/20 0.31
LTA4H P09960 1/20 0.31
MAPT P10636 1/20 0.31
PEPD P12955 1/20 0.31
ALOX15 P16050 1/20 0.31
PTGS1 P23219 1/20 0.31
HTR2A P28223 1/20 0.31
PTGS2 P35354 1/20 0.31
HRH1 P35367 1/20 0.31
THPO P40225 1/20 0.31
PMP22 Q01453 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ACE2 Q9BYF1 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RAB9A P51151 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
SCHEMBL11213004 1.00 ACE (0.31) ACERENKDM4EF2LMNA
SCHEMBL11212494 0.82 ACE (0.31) ACERENKDM4EF2LMNA
SCHEMBL11212869 0.82 TSHR (0.32) ACE
SCHEMBL11212874 0.82 TSHR (0.32) ACE
SCHEMBL11458277 0.81 DPP4 (0.34) ACERENKDM4EF2LMNA
SCHEMBL11214081 0.80 ACE (0.41) ACE
SCHEMBL11212457 0.78 ACE (0.34) ACE
SCHEMBL11209390 0.78 ACE (0.52) ACERENKDM4EF2LMNA
SCHEMBL11209393 0.78 ACE (0.52) ACERENKDM4EF2LMNA
SCHEMBL11210153 0.76 ACE (0.38) ACERENKDM4EF2LMNA

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-4311697-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-01-19 US disclosed