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Sugi Predict / Compounds / SCHEMBL7533944

SCHEMBL7533944

SCHEMBL7533944

CC(C)(C)OC(=O)NC(CC(=O)OCc1ccccc1)C(=O)N1CCCC1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 7/20 0.65
▸ CMA1 P23946 6/20 0.56
▸ KLK5 Q9Y337 2/20 0.54
▸ KLK7 P49862 1/20 0.54
▸ ACE2 Q9BYF1 4/20 0.51
▸ CTSL P07711 1/20 0.50
▸ F2 P00734 1/20 0.49
▸ PRSS1 P07477 1/20 0.49
▸ CACNA1B Q00975 2/20 0.49
▸ LMNA P02545 1/20 0.49

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
SCHEMBL29131320 1.00 ACE (0.65) ACECMA1KLK5KLK7ACE2
SCHEMBL29131321 1.00 ACE (0.65) ACECMA1KLK5KLK7ACE2
SCHEMBL10732012 0.92 ACE (0.60) ACECMA1KLK5KLK7ACE2
SCHEMBL25133623 0.90 KLK5 (0.55) ACECMA1KLK5KLK7CTSL
SCHEMBL30859278 0.90 KLK5 (0.55) ACECMA1KLK5KLK7CTSL
SCHEMBL1300212 0.88 ACE (0.61) ACECMA1KLK5ACE2CTSL
SCHEMBL1300209 0.88 ACE (0.61) ACECMA1KLK5ACE2CTSL
SCHEMBL3548960 0.86 PREP (0.67) ACECMA1KLK5KLK7CTSL
SCHEMBL13444798 0.86 PREP (0.67) ACECMA1KLK5KLK7CTSL
SCHEMBL3692085 0.86 ACE (0.77) ACECMA1KLK5ACE2F2

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 disclosed