SCHEMBL7313441

SCHEMBL7313441

CCOC(OCC)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)CNC(C)=O)C(C)C)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.52
FAP Q12884 1/20 0.45
CMA1 P23946 2/20 0.45
AKT1 P31749 2/20 0.43
PSMB5 P28074 1/20 0.42
ELANE P08246 1/20 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
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
CD4 P01730 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
PRCP P42785 1/20 0.41
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
SCHEMBL7355181 0.93 MALT1 (0.59) MALT1CMA1ELANEDPP4DPP8
SCHEMBL7312528 0.91 MALT1 (0.51) MALT1FAPCMA1PSMB5ELANE
SCHEMBL7318250 0.90 MALT1 (0.51) MALT1FAPCMA1PSMB5ELANE
SCHEMBL7317461 0.90 MALT1 (0.53) MALT1CMA1ELANEDPP4DPP8
SCHEMBL7320223 0.90 MALT1 (0.51) MALT1FAPCMA1PSMB5ELANE
SCHEMBL7314571 0.89 MALT1 (0.50) MALT1FAPCMA1PSMB5ELANE
SCHEMBL7313975 0.89 MALT1 (0.51) MALT1FAPCMA1PSMB5ELANE
SCHEMBL7312695 0.89 MALT1 (0.52) MALT1FAPCMA1PSMB5ELANE
SCHEMBL7318839 0.89 MALT1 (0.52) MALT1CMA1ELANEDPP4DPP8
SCHEMBL7309577 0.89 MALT1 (0.52) MALT1FAPCMA1AKT1PSMB5

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