SCHEMBL7314754

SCHEMBL7314754

CC(C)[C@H](NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.53
CMA1 P23946 12/20 0.51
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
DPP4 P27487 1/20 0.45
DPP8 Q6V1X1 1/20 0.45
DPP9 Q86TI2 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
ELANE P08246 1/20 0.44

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
SCHEMBL7324440 0.94 MALT1 (0.59) MALT1CMA1ITGB3ITGA2BDPP4
SCHEMBL7321341 0.93 CMA1 (0.56) MALT1CMA1ITGB3ITGA2BELANE
SCHEMBL7311270 0.91 MALT1 (0.53) MALT1CMA1ITGB3ITGA2BDPP4
SCHEMBL7320410 0.90 MALT1 (0.53) MALT1CMA1ITGB3ITGA2BDPP4
SCHEMBL7310323 0.89 MALT1 (0.52) MALT1CMA1ITGB3ITGA2BDPP4
SCHEMBL7312367 0.89 MALT1 (0.52) MALT1CMA1ITGB3ITGA2BDPP4
SCHEMBL7309577 0.89 MALT1 (0.52) MALT1CMA1ITGB3ITGA2BDPP4
SCHEMBL7318287 0.89 MALT1 (0.52) MALT1CMA1ITGB3ITGA2BDPP4
SCHEMBL7317461 0.88 MALT1 (0.53) MALT1CMA1ITGB3ITGA2BDPP4
SCHEMBL7313056 0.88 MALT1 (0.54) MALT1CMA1ITGB3ITGA2BDPP4

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