SCHEMBL11267866

SCHEMBL11267866

CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 14/20 0.78
▸ LMNA P02545 2/20 0.78
▸ SMN1; SMN2 Q16637 1/20 0.71
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ USP2 O75604 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ ABCB11 O95342 2/20 0.54

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
SCHEMBL11262921 1.00 ACE (0.78) ACELMNASMN1; SMN2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL10981416 0.90 ACE (0.64) ACELMNASMN1; SMN2MEN1KMT2A
SCHEMBL7333220 0.90 ACE (0.79) ACELMNASMN1; SMN2MEN1KMT2A
SCHEMBL11262743 0.89 ACE (0.77) ACELMNASMN1; SMN2
SCHEMBL11267471 0.89 ACE (0.77) ACELMNASMN1; SMN2
SCHEMBL683537 0.88 ACE (0.81) ACELMNASMN1; SMN2MEN1KMT2A
SCHEMBL7266938 0.88 ACE (0.81) ACELMNASMN1; SMN2MEN1KMT2A
SCHEMBL11259353 0.88 ACE (0.68) ACELMNASMN1; SMN2MEN1KMT2A
SCHEMBL11292868 0.88 ACE (0.69) ACELMNASMN1; SMN2MEN1KMT2A
Enalapril SCHEMBL8089096 0.87 ACE (1.00) ACELMNASMN1; SMN2MEN1KMT2A

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
EP-0049506-A1 N-carboxyalkyl dipeptides, a process for preparing and a pharmaceutical composition comprising the same MERCK & CO. INC. (US) 1982-04-14 — — EP claimed
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