SCHEMBL7318839

SCHEMBL7318839

CCOC(OCC)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1)C(C)C)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.52
ELANE P08246 4/20 0.46
CTSG P08311 1/20 0.44
CMA1 P23946 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
EPHA2 P29317 2/20 0.42
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
HTRA1 Q92743 2/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 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
SCHEMBL7313975 0.95 MALT1 (0.51) MALT1ELANECTSGCMA1CA1
SCHEMBL7355181 0.93 MALT1 (0.59) MALT1ELANECMA1DPP4DPP8
SCHEMBL7312695 0.91 MALT1 (0.52) MALT1ELANECMA1DPP4DPP8
SCHEMBL7317461 0.90 MALT1 (0.53) MALT1ELANECMA1DPP4DPP8
SCHEMBL7313537 0.89 ELANE (0.46) MALT1ELANECTSGCMA1TAAR1
SCHEMBL7313441 0.89 MALT1 (0.52) MALT1ELANECMA1DPP4DPP8
SCHEMBL7318287 0.89 MALT1 (0.52) MALT1ELANECTSGCMA1CA1
SCHEMBL7312528 0.88 MALT1 (0.51) MALT1ELANECMA1EPHA2DPP4
SCHEMBL7316711 0.88 MALT1 (0.49) MALT1ELANECMA1EPHA2DPP4
SCHEMBL7311225 0.88 DPP8 (0.52) 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