SCHEMBL10796436

SCHEMBL10796436

CCCCCCCCSC[C@H](NC(C)C(=O)N1CCC[C@H]1C(=O)O)C(=O)OCC

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 13/20 0.59
▸ LMNA P02545 2/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ REN P00797 4/20 0.43
▸ ACE2 Q9BYF1 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PEPD P12955 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ THPO P40225 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL10796062 1.00 ACE (0.59) ACELMNASMN1; SMN2RENACE2
SCHEMBL10796260 1.00 ACE (0.59) ACELMNASMN1; SMN2RENACE2
SCHEMBL10800601 1.00 ACE (0.59) ACELMNASMN1; SMN2RENACE2
SCHEMBL10800247 1.00 ACE (0.59) ACELMNASMN1; SMN2RENACE2
SCHEMBL10796078 1.00 ACE (0.59) ACELMNASMN1; SMN2RENACE2
SCHEMBL10796279 1.00 ACE (0.59) ACELMNASMN1; SMN2RENACE2
SCHEMBL10799042 1.00 ACE (0.59) ACELMNASMN1; SMN2RENACE2
SCHEMBL10796212 0.99 ACE (0.60) ACELMNASMN1; SMN2RENACE2
SCHEMBL10522076 0.99 ACE (0.60) ACELMNASMN1; SMN2RENACE2
SCHEMBL10522090 0.99 ACE (0.60) ACELMNASMN1; SMN2RENACE2

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