SCHEMBL11301917

SCHEMBL11301917

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

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.73
REN P00797 4/20 0.73
LMNA P02545 2/20 0.73
HSD17B10 Q99714 2/20 0.73
KDM4E B2RXH2 1/20 0.73
F2 P00734 1/20 0.73
LTA4H P09960 1/20 0.73
MAPT P10636 1/20 0.73
PEPD P12955 1/20 0.73
ALOX15 P16050 1/20 0.73
PTGS1 P23219 1/20 0.73
HTR2A P28223 1/20 0.73
PTGS2 P35354 1/20 0.73
HRH1 P35367 1/20 0.73
THPO P40225 1/20 0.73
PMP22 Q01453 1/20 0.73
ACE2 Q9BYF1 1/20 0.73
CYP2C19 P33261 1/20 0.52
RAB9A P51151 1/20 0.51

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
SCHEMBL6950273 0.85 ACE (0.58) ACERENLMNAHSD17B10KDM4E
D-Captopril SCHEMBL678794 0.84 ACE (1.00) ACERENLMNAHSD17B10KDM4E
D-Captopril SCHEMBL675797 0.84 ACE (1.00) ACERENLMNAHSD17B10KDM4E
D-Captopril SCHEMBL2444049 0.84 ACE (1.00) ACERENLMNAHSD17B10KDM4E
D-Captopril SCHEMBL7983782 0.84 ACE (1.00) ACERENLMNAHSD17B10KDM4E
D-Captopril SCHEMBL2444053 0.84 ACE (1.00) ACERENLMNAHSD17B10KDM4E
Captopril SCHEMBL2786691 0.84 ACE (1.00) ACERENLMNAHSD17B10KDM4E
Captopril SCHEMBL4 0.84 ACE (1.00) ACERENLMNAHSD17B10KDM4E
D-Captopril SCHEMBL1913521 0.84 ACE (1.00) ACERENLMNAHSD17B10KDM4E
D-Captopril SCHEMBL2422871 0.84 ACE (1.00) ACERENLMNAHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56068664-A None JP disclosed
JP-S5668664-A THIOAMIDE DERIVATIVE YOSHITOMI PHARMACEUT IND LTD 1981-06-09 JP disclosed
US-4228077-A N-[2-(mercaptoalkyl)-3-mercaptoalkanoyl]-l-tryptophanes E. R. SQUIBB & SONS, INC. (US) 1980-10-14 US disclosed
US-4206121-A ANGIOTENSIN, ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1980-06-03 US disclosed
US-4178291-A HYPOTENSIVE AGENTS, ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-12-11 US disclosed
US-4176235-A ANGIOTENSIN COVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-11-27 US disclosed
US-4175199-A Substituted acyl derivatives of amino acids E. R. SQUIBB & SONS, INC. (US) 1979-11-20 US disclosed
US-4154936-A ENZYME INHIBITORS, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1979-05-15 US disclosed
US-4140864-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-02-20 US disclosed
US-4116962-A ANGIOTENSIN CONVERTING ENXYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1978-09-26 US disclosed