SCHEMBL10796478

SCHEMBL10796478

CCCCCCCSC[C@H](N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 12/20 0.54
▸ LMNA P02545 2/20 0.48
▸ REN P00797 4/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ F2 P00734 1/20 0.46
▸ LTA4H P09960 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PEPD P12955 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ HRH1 P35367 1/20 0.46
▸ THPO P40225 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ ACE2 Q9BYF1 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL10796676 1.00 ACE (0.54) ACELMNARENKDM4EF2
SCHEMBL10800239 1.00 ACE (0.54) ACELMNARENKDM4EF2
SCHEMBL10796081 1.00 ACE (0.54) ACELMNARENKDM4EF2
SCHEMBL10801296 0.99 ACE (0.55) ACELMNARENKDM4EF2
SCHEMBL10796279 0.90 ACE (0.59) ACELMNARENKDM4EF2
SCHEMBL10796078 0.90 ACE (0.59) ACELMNARENKDM4EF2
SCHEMBL10800247 0.90 ACE (0.59) ACELMNARENKDM4EF2
SCHEMBL10796062 0.90 ACE (0.59) ACELMNARENKDM4EF2
SCHEMBL10796436 0.90 ACE (0.59) ACELMNARENKDM4EF2
SCHEMBL10799042 0.90 ACE (0.59) ACELMNARENKDM4EF2

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-4642355-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1987-02-10 — — US disclosed
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