SCHEMBL7279115

SCHEMBL7279115

CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)c1nc2ccccc2s1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 11/20 0.50
CAPN1 P07384 2/20 0.50
CMA1 P23946 1/20 0.49
MALT1 Q9UDY8 1/20 0.47
CCR1 P32246 1/20 0.47
F2 P00734 1/20 0.47

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
SCHEMBL7278810 0.84 ELANE (0.52) ELANECAPN1CMA1MALT1CCR1
SCHEMBL7288707 0.84 ALOX15 (0.53) ELANECAPN1
SCHEMBL7288698 0.84 ALOX15 (0.53) ELANECAPN1
SCHEMBL7279628 0.83 ELANE (0.50) ELANECCR1F2
SCHEMBL13475726 0.82 PREP (0.57) ELANECAPN1F2
SCHEMBL13409456 0.82 PREP (0.57) ELANECAPN1F2
SCHEMBL10081595 0.81 ELANE (0.65) ELANECMA1
SCHEMBL5711190 0.81 CAPN1 (0.45) CAPN1CMA1F2
SCHEMBL10081596 0.80 ELANE (0.57) ELANECAPN1CMA1
SCHEMBL17425092 0.80 CMA1 (0.56) ELANECAPN1CMA1CCR1

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
EP-0291234-B1 Peptidic human leukocyte elastase (HLE) inhibitors ZENECA INC (US) 1994-03-23 EP disclosed
US-5164371-A HETEROCYCLIC KETONES ICI AMERICAS INC. (US) 1992-11-17 US disclosed
EP-0291234-A2 Peptidic human leukocyte elastase (HLE) inhibitors ZENECA INC. (US) 1988-11-17 EP disclosed