SCHEMBL7439592

SCHEMBL7439592

COC(=O)c1ccccc1-c1nnnn1CC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 11/20 0.39
KLK7 P49862 1/20 0.39
KLK5 Q9Y337 1/20 0.39
SYK P43405 1/20 0.39
ATM Q13315 1/20 0.38
CASP3 P42574 1/20 0.37
MAPT P10636 1/20 0.37
MMP8 P22894 1/20 0.37
P2RX7 Q99572 2/20 0.37

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
SCHEMBL7441581 0.94 CASP1 (0.40) CASP1KLK7KLK5SYKATM
SCHEMBL7443609 0.91 CASP1 (0.42) CASP1KLK7KLK5SYKATM
SCHEMBL7444248 0.90 CASP1 (0.47) CASP1CASP3
SCHEMBL7435672 0.88 ATM (0.44) CASP1KLK7KLK5SYKATM
SCHEMBL7444086 0.87 KLK7 (0.37) CASP1KLK7KLK5SYKCASP3
SCHEMBL7441638 0.87 CASP1 (0.46) CASP1KLK7KLK5SYKATM
SCHEMBL7431145 0.87 MAPT (0.41) CASP1SYKATMMAPT
SCHEMBL7433669 0.87 ATM (0.43) CASP1KLK7KLK5SYKATM
SCHEMBL7436188 0.86 CASP1 (0.39) CASP1KLK7KLK5SYKATM
SCHEMBL7441949 0.85 CASP3 (0.42) CASP1SYKATMCASP3MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5710153-A INTERLEUKIN CONVERTING ENZYME INHIBITORS ONO PHRAMACEUTICAL CO., LTD. (JP) 1998-01-20 US disclosed
EP-0761680-A2 Tetrazole compounds having Interleukin-1beta converting enzyme inhibitory activity ONO PHARMACEUTICAL CO., LTD. (JP) 1997-03-12 EP disclosed