SCHEMBL7436188

SCHEMBL7436188

CC(C)(C)OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)Cn1nnnc1C1=Cc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 12/20 0.39
MAPT P10636 1/20 0.39
SYK P43405 1/20 0.39
P2RX7 Q99572 2/20 0.38
ATM Q13315 1/20 0.38
KLK7 P49862 1/20 0.37
KLK5 Q9Y337 1/20 0.37
CTSK P43235 1/20 0.36

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
SCHEMBL7443609 0.89 CASP1 (0.42) CASP1MAPTSYKATMKLK7
SCHEMBL7426760 0.89 CASP1 (0.48) CASP1
SCHEMBL7435672 0.88 ATM (0.44) CASP1MAPTSYKATMKLK7
SCHEMBL7441581 0.87 CASP1 (0.40) CASP1MAPTSYKP2RX7ATM
SCHEMBL7433669 0.87 ATM (0.43) CASP1MAPTSYKATMKLK7
SCHEMBL7441638 0.86 CASP1 (0.46) CASP1SYKATMKLK7KLK5
SCHEMBL7439592 0.86 CASP1 (0.39) CASP1MAPTSYKP2RX7ATM
SCHEMBL7438347 0.85 CASP1 (0.41) CASP1MAPTSYKATMKLK7
SCHEMBL7429734 0.84 CYP1A2 (0.46) CASP1MAPTSYKKLK7KLK5
SCHEMBL7442691 0.84 CASP1 (0.46) CASP1MAPTSYKATMKLK7

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