SCHEMBL7316334

SCHEMBL7316334

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.57
ACE P12821 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
CMA1 P23946 5/20 0.45
ELANE P08246 6/20 0.44
REN P00797 2/20 0.44
CTSL P07711 2/20 0.43
CTSS P25774 1/20 0.43
CAPN1 P07384 2/20 0.42
CASP1 P29466 1/20 0.42
CASP3 P42574 1/20 0.42
CASP2 P42575 1/20 0.42
CASP4 P49662 1/20 0.42
CASP5 P51878 1/20 0.42
CASP7 P55210 1/20 0.42
CASP9 P55211 1/20 0.42
CASP8 Q14790 1/20 0.42
CASP10 Q92851 1/20 0.42
CTSB P07858 1/20 0.42
CTSG P08311 1/20 0.41

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
SCHEMBL7317148 0.96 MALT1 (0.61) MALT1ACEACE2CMA1ELANE
SCHEMBL7320470 0.92 CMA1 (0.51) MALT1ACEACE2CMA1ELANE
SCHEMBL7323599 0.91 ELANE (0.51) MALT1CMA1ELANECTSLCAPN1
SCHEMBL7324440 0.89 MALT1 (0.59) MALT1CMA1ELANERENCASP1
SCHEMBL7316337 0.87 MALT1 (0.59) MALT1ACEACE2CMA1ELANE
SCHEMBL7313928 0.87 CMA1 (0.55) MALT1ACECMA1ELANEREN
SCHEMBL7276583 0.85 ELANE (0.55) CMA1ELANECTSLCAPN1CTSB
SCHEMBL7293993 0.85 ELANE (0.55) CMA1ELANECTSLCAPN1CTSB
SCHEMBL13036084 0.85 ELANE (0.55) CMA1ELANECTSLCAPN1CTSB
SCHEMBL13982069 0.85 ELANE (0.55) CMA1ELANECTSLCAPN1CTSB

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