SCHEMBL10384303

SCHEMBL10384303

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 13/20 0.49
▸ LMNA P02545 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PEPD P12955 2/20 0.37
▸ XPNPEP1 Q9NQW7 1/20 0.35
▸ FKBP1A P62942 1/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL10384305 1.00 ACE (0.49) ACELMNASMN1; SMN2PEPDXPNPEP1
SCHEMBL10385088 0.90 ACE (0.51) ACELMNASMN1; SMN2PEPDXPNPEP1
SCHEMBL10385087 0.90 ACE (0.51) ACELMNASMN1; SMN2PEPDXPNPEP1
SCHEMBL10385089 0.88 ACE (0.49) ACELMNASMN1; SMN2PEPDXPNPEP1
SCHEMBL10385091 0.88 ACE (0.49) ACELMNASMN1; SMN2PEPDXPNPEP1
SCHEMBL10384139 0.86 ACE (0.48) ACELMNASMN1; SMN2PEPDXPNPEP1
SCHEMBL10383387 0.86 ACE (0.48) ACELMNASMN1; SMN2PEPDXPNPEP1
SCHEMBL10384147 0.85 ACE (0.49) ACELMNASMN1; SMN2PEPDXPNPEP1
SCHEMBL10384148 0.85 ACE (0.49) ACELMNASMN1; SMN2PEPDXPNPEP1
SCHEMBL10384056 0.84 ACE (0.48) ACELMNASMN1; SMN2PEPDXPNPEP1

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-4977179-A Inhibiting angiotensin converting enzyme OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1990-12-11 — — US disclosed
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