SCHEMBL10522043

SCHEMBL10522043

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 15/20 0.46
▸ LMNA P02545 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.33
▸ ACE2 Q9BYF1 1/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ FKBP1A P62942 2/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ALOX15 P16050 1/20 0.32

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
SCHEMBL10522050 1.00 ACE (0.46) ACELMNASMN1; SMN2ALDH1A1ACE2
SCHEMBL10520233 0.93 ACE (0.49) ACELMNASMN1; SMN2ALDH1A1ABCB11
SCHEMBL10520228 0.93 ACE (0.49) ACELMNASMN1; SMN2ALDH1A1ABCB11
SCHEMBL10522606 0.90 ACE (0.48) ACELMNASMN1; SMN2ALDH1A1ACE2
SCHEMBL10522615 0.90 ACE (0.48) ACELMNASMN1; SMN2ALDH1A1ACE2
SCHEMBL10796436 0.87 ACE (0.59) ACELMNASMN1; SMN2ACE2ALOX15
SCHEMBL10796078 0.87 ACE (0.59) ACELMNASMN1; SMN2ACE2ALOX15
SCHEMBL10796062 0.87 ACE (0.59) ACELMNASMN1; SMN2ACE2ALOX15
SCHEMBL10796279 0.87 ACE (0.59) ACELMNASMN1; SMN2ACE2ALOX15
SCHEMBL10799042 0.87 ACE (0.59) ACELMNASMN1; SMN2ACE2ALOX15

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