SCHEMBL10522615

SCHEMBL10522615

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

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 11/20 0.48
▸ LMNA P02545 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ACE2 Q9BYF1 1/20 0.35
▸ FKBP1A P62942 2/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL10522606 1.00 ACE (0.48) ACELMNASMN1; SMN2ACE2FKBP1A
SCHEMBL10522050 0.90 ACE (0.46) ACELMNASMN1; SMN2ACE2FKBP1A
SCHEMBL10522043 0.90 ACE (0.46) ACELMNASMN1; SMN2ACE2FKBP1A
SCHEMBL10800247 0.87 ACE (0.59) ACELMNASMN1; SMN2ACE2
SCHEMBL10796078 0.87 ACE (0.59) ACELMNASMN1; SMN2ACE2
SCHEMBL10796260 0.87 ACE (0.59) ACELMNASMN1; SMN2ACE2
SCHEMBL10796436 0.87 ACE (0.59) ACELMNASMN1; SMN2ACE2
SCHEMBL10799042 0.87 ACE (0.59) ACELMNASMN1; SMN2ACE2
SCHEMBL10796279 0.87 ACE (0.59) ACELMNASMN1; SMN2ACE2
SCHEMBL10796062 0.87 ACE (0.59) ACELMNASMN1; SMN2ACE2

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-4886813-A INHIBITORS OF ANGIOTENSIN CONVERTING ENZYME OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1989-12-12 — — US disclosed
Send feedback