SCHEMBL7433669

SCHEMBL7433669

CC(C)(C)OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)Cn1nnnc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
CASP1 P29466 10/20 0.43
MAPT P10636 1/20 0.42
SYK P43405 1/20 0.42
MME P08473 1/20 0.41
GHSR Q92847 1/20 0.40
KLK7 P49862 1/20 0.40
KLK5 Q9Y337 1/20 0.40
CTSK P43235 2/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL7435672 0.98 ATM (0.44) ATMCASP1MAPTSYKKLK7
SCHEMBL7438347 0.94 CASP1 (0.41) ATMCASP1MAPTSYKMME
SCHEMBL7431145 0.94 MAPT (0.41) ATMCASP1MAPTSYK
SCHEMBL7443609 0.92 CASP1 (0.42) ATMCASP1MAPTSYKKLK7
SCHEMBL7442691 0.88 CASP1 (0.46) ATMCASP1MAPTSYKKLK7
SCHEMBL7441581 0.88 CASP1 (0.40) ATMCASP1MAPTSYKKLK7
SCHEMBL7447398 0.88 CASP1 (0.53) CASP1
SCHEMBL7441949 0.88 CASP3 (0.42) ATMCASP1MAPTSYK
SCHEMBL7436188 0.87 CASP1 (0.39) ATMCASP1MAPTSYKKLK7
SCHEMBL7439592 0.87 CASP1 (0.39) ATMCASP1MAPTSYKKLK7

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