SCHEMBL11433749

SCHEMBL11433749

O=C(O)C1CCCCN1C(=O)C(CS)CS

nearest known ligand 0.90

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 7/20 0.65
▸ LTA4H P09960 4/20 0.65
▸ REN P00797 3/20 0.65
▸ KDM4E B2RXH2 1/20 0.65
▸ F2 P00734 1/20 0.65
▸ LMNA P02545 1/20 0.65
▸ MAPT P10636 1/20 0.65
▸ PEPD P12955 1/20 0.65
▸ ALOX15 P16050 1/20 0.65
▸ PTGS1 P23219 1/20 0.65
▸ HTR2A P28223 1/20 0.65
▸ PTGS2 P35354 1/20 0.65
▸ HRH1 P35367 1/20 0.65
▸ THPO P40225 1/20 0.65
▸ PMP22 Q01453 1/20 0.65
▸ HSD17B10 Q99714 1/20 0.65
▸ ACE2 Q9BYF1 1/20 0.65

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
SCHEMBL10554484 0.95 ACE (0.71) ACELTA4HRENKDM4EF2
SCHEMBL11432760 0.92 ACE (0.60) ACELTA4HRENKDM4EF2
SCHEMBL10554261 0.87 ACE (0.66) ACELTA4HRENKDM4EF2
SCHEMBL11325438 0.86 ACE (0.53) ACELTA4HRENKDM4EF2
SCHEMBL10551301 0.86 ACE (0.64) ACELTA4HRENKDM4EF2
SCHEMBL7127497 0.86 ACE (0.68) ACELTA4HRENKDM4EF2
SCHEMBL11328302 0.86 ACE (0.64) ACELTA4HRENKDM4EF2
SCHEMBL11376979 0.86 ACE (0.68) ACELTA4HRENKDM4EF2
SCHEMBL11493207 0.85 ACE (0.56) ACELTA4HRENKDM4EF2
SCHEMBL7372965 0.84 ACE (0.91) ACELTA4HRENKDM4EF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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