SCHEMBL7444086

SCHEMBL7444086

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.37
KLK5 Q9Y337 1/20 0.37
SYK P43405 1/20 0.37
MAPT P10636 2/20 0.37
XBP1 P17861 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CASP3 P42574 2/20 0.36
CASP1 P29466 5/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGAV P06756 1/20 0.35
GHSR Q92847 1/20 0.35

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
SCHEMBL7442169 0.91 CASP3 (0.44) CASP3CASP1
SCHEMBL7441581 0.89 CASP1 (0.40) KLK7KLK5SYKMAPTCASP3
SCHEMBL7439592 0.87 CASP1 (0.39) KLK7KLK5SYKMAPTCASP3
SCHEMBL7443609 0.86 CASP1 (0.42) KLK7KLK5SYKMAPTCASP1
SCHEMBL7432756 0.86 CYP1A2 (0.41) KLK7KLK5SYKMAPTXBP1
SCHEMBL7435672 0.84 ATM (0.44) KLK7KLK5SYKMAPTCASP1
SCHEMBL7441638 0.83 CASP1 (0.46) KLK7KLK5SYKCASP1
SCHEMBL7433669 0.82 ATM (0.43) KLK7KLK5SYKMAPTCASP1
SCHEMBL7436188 0.81 CASP1 (0.39) KLK7KLK5SYKMAPTCASP1
SCHEMBL7438347 0.80 CASP1 (0.41) KLK7KLK5SYKMAPTCASP1

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