SCHEMBL7539145

SCHEMBL7539145

CCCCCCCCCCOC(=O)C1CCCN1C(=O)C(CC(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 3/20 0.46
▸ ACE P12821 3/20 0.44
▸ ACE2 Q9BYF1 2/20 0.44
▸ ITGB3 P05106 2/20 0.44
▸ ITGA2B P08514 2/20 0.44
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ KLK5 Q9Y337 1/20 0.42
▸ FKBP1A P62942 9/20 0.41
▸ F2 P00734 1/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ CTRC Q99895 1/20 0.38

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
SCHEMBL15139681 0.86 CMA1 (0.49) CMA1ACEITGB3ITGA2BKLK5
SCHEMBL19390373 0.86 CMA1 (0.49) CMA1ACEITGB3ITGA2BKLK5
SCHEMBL17348400 0.83 FKBP1A (0.45) CMA1ACEACE2KLK5FKBP1A
SCHEMBL7563228 0.83 ACE (0.56) CMA1ACEACE2ITGB3ITGA2B
SCHEMBL30483497 0.82 ACE (0.43) CMA1ACEACE2KLK5FKBP1A
SCHEMBL9608922 0.81 FKBP1A (0.44) ACEACE2KLK5FKBP1A
SCHEMBL12463881 0.81 CMA1 (0.49) CMA1ACEITGB3ITGA2BKLK5
SCHEMBL5898625 0.80 FKBP1A (0.46) FKBP1A
SCHEMBL7327544 0.79 ACE (0.53) CMA1ACEACE2BCHEACHE
SCHEMBL8254962 0.79 CTSK (0.50) ACEITGB3ITGA2BKLK5FKBP1A

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
WO-2002028438-A1 LIPOPEPTIDES AS ABSORPTION ENHANCERS FOR BIOACTIVE COMPOUNDS KING'S COLLEGE LONDON (GB) 2002-04-11 — — WO claimed
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