SCHEMBL11262147

SCHEMBL11262147

CC(CS)C(=O)N1CC(=O)C[C@H]1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 10/20 0.65
KDM4E B2RXH2 1/20 0.56
F2 P00734 1/20 0.56
REN P00797 1/20 0.56
LMNA P02545 1/20 0.56
LTA4H P09960 1/20 0.56
MAPT P10636 1/20 0.56
PEPD P12955 1/20 0.56
ALOX15 P16050 1/20 0.56
PTGS1 P23219 1/20 0.56
HTR2A P28223 1/20 0.56
PTGS2 P35354 1/20 0.56
HRH1 P35367 1/20 0.56
THPO P40225 1/20 0.56
PMP22 Q01453 1/20 0.56
HSD17B10 Q99714 1/20 0.56
ACE2 Q9BYF1 1/20 0.56

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
SCHEMBL11263934 1.00 ACE (0.65) ACEKDM4EF2RENLMNA
SCHEMBL11267823 0.86 ACE (0.48) ACEKDM4EF2RENLMNA
SCHEMBL11261559 0.85 ACE (0.62) ACEKDM4EF2RENLMNA
SCHEMBL11262600 0.84 ACE (0.47) ACEKDM4EF2RENLMNA
SCHEMBL11262595 0.84 ACE (0.47) ACEKDM4EF2RENLMNA
SCHEMBL11268649 0.81 ACE (0.45) ACEKDM4EF2RENLMNA
SCHEMBL11271111 0.80 ACE (0.68) ACE
SCHEMBL11305254 0.80 ACE (0.68) ACE
SCHEMBL10923181 0.79 ACE (1.00) ACE
SCHEMBL11145862 0.79 ACE (1.00) ACE

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
US-4296113-A FOR TREATING HYPERTENSION BY INHIBITING ANGIOTENSIN CONVERTING ENZYME E. R. SQUIBB & SONS, INC. (US) 1981-10-20 US claimed
US-4330548-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-05-18 US disclosed
US-4296113-A FOR TREATING HYPERTENSION BY INHIBITING ANGIOTENSIN CONVERTING ENZYME E. R. SQUIBB & SONS, INC. (US) 1981-10-20 US disclosed