SCHEMBL7320477

SCHEMBL7320477

CCOC(OCC)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)C)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 11/20 0.53
MALT1 Q9UDY8 1/20 0.53
REN P00797 1/20 0.52
ACE P12821 2/20 0.50
SLC6A2 P23975 1/20 0.49
CALCRL Q16602 1/20 0.48
ELANE P08246 3/20 0.48
CTSG P08311 1/20 0.48
ACE2 Q9BYF1 1/20 0.48

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
SCHEMBL7323606 0.92 CMA1 (0.53) CMA1MALT1ELANE
SCHEMBL7285949 0.92 CMA1 (0.53) CMA1MALT1ELANE
SCHEMBL7316337 0.92 MALT1 (0.59) CMA1MALT1RENACEELANE
SCHEMBL7355181 0.89 MALT1 (0.59) CMA1MALT1RENELANE
SCHEMBL7320470 0.87 CMA1 (0.51) CMA1MALT1RENACESLC6A2
SCHEMBL29642752 0.86 ACE (0.66) CMA1MALT1RENACEELANE
SCHEMBL31632672 0.86 ACE (0.66) CMA1MALT1RENACEELANE
SCHEMBL7313928 0.85 CMA1 (0.55) CMA1MALT1RENACESLC6A2
SCHEMBL29642770 0.85 ACE (0.56) CMA1MALT1RENACESLC6A2
SCHEMBL22424852 0.85 SLC6A2 (0.59) CMA1MALT1RENACESLC6A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4691007-A HUMAN LEUKOCYTE ELASTASE INHIBITORS ICI AMERICAS INC. (US) 1987-09-01 US disclosed
US-4596789-A Pharmaceuticals ICI AMERICAS INC. (US) 1986-06-24 US disclosed
EP-0124317-A2 Proline derivatives ICI AMERICAS INC. (US) 1984-11-07 EP disclosed