SCHEMBL7316337

SCHEMBL7316337

CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(OCC)OCC)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.59
ACE P12821 2/20 0.48
ACE2 Q9BYF1 1/20 0.48
CMA1 P23946 6/20 0.47
ELANE P08246 6/20 0.47
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
REN P00797 2/20 0.45
XIAP P98170 1/20 0.43
MLX Q9UH92 1/20 0.43
PREP P48147 1/20 0.43

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
SCHEMBL7355181 0.93 MALT1 (0.59) MALT1CMA1ELANEREN
SCHEMBL7320477 0.92 CMA1 (0.53) MALT1ACEACE2CMA1ELANE
SCHEMBL7285949 0.90 CMA1 (0.53) MALT1CMA1ELANECTSLPREP
SCHEMBL7323606 0.90 CMA1 (0.53) MALT1CMA1ELANECTSLPREP
SCHEMBL7316334 0.87 MALT1 (0.57) MALT1ACEACE2CMA1ELANE
SCHEMBL7317461 0.87 MALT1 (0.53) MALT1CMA1ELANE
SCHEMBL7317019 0.87 MALT1 (0.53) MALT1ACEACE2CMA1ELANE
SCHEMBL7317148 0.87 MALT1 (0.61) MALT1ACEACE2CMA1ELANE
SCHEMBL7313441 0.86 MALT1 (0.52) MALT1CMA1ELANE
SCHEMBL7312695 0.86 MALT1 (0.52) MALT1CMA1ELANE

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