SCHEMBL7435672

SCHEMBL7435672

CC(C)(C)OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)Cn1nnnc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
CASP1 P29466 12/20 0.44
SYK P43405 1/20 0.43
MAPT P10636 1/20 0.43
KLK7 P49862 1/20 0.41
KLK5 Q9Y337 1/20 0.41
CTSK P43235 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 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
SCHEMBL7433669 0.98 ATM (0.43) ATMCASP1SYKMAPTKLK7
SCHEMBL7438347 0.94 CASP1 (0.41) ATMCASP1SYKMAPTKLK7
SCHEMBL7443609 0.94 CASP1 (0.42) ATMCASP1SYKMAPTKLK7
SCHEMBL7431145 0.93 MAPT (0.41) ATMCASP1SYKMAPT
SCHEMBL7441581 0.90 CASP1 (0.40) ATMCASP1SYKMAPTKLK7
SCHEMBL7442691 0.90 CASP1 (0.46) ATMCASP1SYKMAPTKLK7
SCHEMBL7441949 0.89 CASP3 (0.42) ATMCASP1SYKMAPT
SCHEMBL7436188 0.88 CASP1 (0.39) ATMCASP1SYKMAPTKLK7
SCHEMBL7439592 0.88 CASP1 (0.39) ATMCASP1SYKMAPTKLK7
SCHEMBL7441638 0.88 CASP1 (0.46) ATMCASP1SYKKLK7KLK5

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