SCHEMBL10778971

SCHEMBL10778971

CCOC(=O)C(CCCC(=O)c1ccsc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 14/20 0.64
▸ LMNA P02545 2/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ ABCB11 O95342 2/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ PDE3A Q14432 1/20 0.42

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
SCHEMBL10778884 0.93 ACE (0.55) ACELMNASMN1; SMN2ABCB11MEN1
SCHEMBL10783396 0.82 ACE (0.72) ACELMNASMN1; SMN2ABCB11MEN1
SCHEMBL10779532 0.82 ACE (0.64) ACELMNASMN1; SMN2
Trifluoroacetic Acid SCHEMBL10972356 0.81 ACE (0.61) ACELMNASMN1; SMN2ABCB11MEN1
SCHEMBL683465 0.81 ACE (0.73) ACELMNASMN1; SMN2ABCB11ALOX15
Trifluoroacetic Acid SCHEMBL10971638 0.79 ACE (0.70) ACELMNASMN1; SMN2ABCB11MEN1
SCHEMBL682300 0.79 ACE (0.76) ACELMNASMN1; SMN2ABCB11MEN1
Enalapril SCHEMBL8089096 0.79 ACE (1.00) ACELMNASMN1; SMN2ABCB11MEN1
Enalapril SCHEMBL13933092 0.79 ACE (1.00) ACELMNASMN1; SMN2ABCB11MEN1
Enalapril SCHEMBL13575793 0.79 ACE (1.00) ACELMNASMN1; SMN2ABCB11MEN1

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-0084941-B1 AMIDE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-03-11 — — EP claimed
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