SCHEMBL7312367

SCHEMBL7312367

CC(C)[C@H](NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1ccc(C(=O)O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.52
ELANE P08246 4/20 0.47
CTSG P08311 1/20 0.46
CMA1 P23946 3/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
DPP4 P27487 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
TGM2 P21980 2/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HTRA1 Q92743 3/20 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
SCHEMBL7318287 0.96 MALT1 (0.52) MALT1ELANECTSGCMA1CA1
SCHEMBL7324440 0.93 MALT1 (0.59) MALT1ELANECMA1DPP4DPP8
SCHEMBL7310323 0.92 MALT1 (0.52) MALT1ELANECMA1DPP4DPP8
SCHEMBL7314754 0.89 MALT1 (0.53) MALT1ELANECMA1DPP4DPP8
SCHEMBL7320410 0.89 MALT1 (0.53) MALT1ELANECMA1DPP4DPP8
SCHEMBL7321341 0.89 CMA1 (0.56) MALT1ELANECMA1ITGB3ITGA2B
SCHEMBL7309577 0.88 MALT1 (0.52) MALT1ELANECMA1DPP4DPP8
SCHEMBL7316785 0.88 ELANE (0.49) MALT1ELANECTSGCMA1DPP4
SCHEMBL7317033 0.87 MALT1 (0.49) MALT1ELANECMA1DPP4DPP8
SCHEMBL7313056 0.86 MALT1 (0.54) MALT1ELANECMA1DPP4DPP8

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