SCHEMBL7313537

SCHEMBL7313537

CCOC(OCC)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCCNC(=O)c1ccccc1)NC(=O)c1ccccc1)C(C)C)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.46
CTSG P08311 1/20 0.45
MALT1 Q9UDY8 4/20 0.44
TAAR1 Q96RJ0 1/20 0.43
CMA1 P23946 1/20 0.43
ACE P12821 5/20 0.43
ACE2 Q9BYF1 4/20 0.43
XIAP P98170 1/20 0.43
MLX Q9UH92 1/20 0.43
MMP1 P03956 1/20 0.41
MMP3 P08254 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
SCHEMBL7318839 0.89 MALT1 (0.52) ELANECTSGMALT1TAAR1CMA1
SCHEMBL7313975 0.88 MALT1 (0.51) ELANECTSGMALT1CMA1
SCHEMBL7355181 0.86 MALT1 (0.59) ELANEMALT1CMA1
SCHEMBL7316785 0.86 ELANE (0.49) ELANECTSGMALT1TAAR1CMA1
SCHEMBL7312695 0.85 MALT1 (0.52) ELANEMALT1CMA1
SCHEMBL7320551 0.85 ELANE (0.40) ELANEMALT1XIAPMLXMMP1
SCHEMBL7317461 0.83 MALT1 (0.53) ELANEMALT1CMA1
SCHEMBL7313441 0.82 MALT1 (0.52) ELANEMALT1CMA1MMP1MMP3
SCHEMBL7316711 0.82 MALT1 (0.49) ELANEMALT1TAAR1CMA1
SCHEMBL7312528 0.82 MALT1 (0.51) ELANEMALT1CMA1

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