SCHEMBL7433459

SCHEMBL7433459

Cc1ccc(Cl)c(-c2nnnn2CC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OCc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 8/20 0.41
CASP3 P42574 3/20 0.40
P2RX7 Q99572 2/20 0.39
SYK P43405 1/20 0.38
OPRK1 P41145 2/20 0.37
MAPT P10636 2/20 0.37
ATM Q13315 1/20 0.36
KLK7 P49862 1/20 0.36
KLK5 Q9Y337 1/20 0.36
MMP8 P22894 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
SCHEMBL7437226 0.90 CASP3 (0.49) CASP1CASP3
SCHEMBL7443609 0.88 CASP1 (0.42) CASP1SYKMAPTATMKLK7
SCHEMBL7442691 0.87 CASP1 (0.46) CASP1CASP3SYKOPRK1MAPT
SCHEMBL7435672 0.87 ATM (0.44) CASP1SYKMAPTATMKLK7
SCHEMBL7441581 0.86 CASP1 (0.40) CASP1CASP3P2RX7SYKMAPT
SCHEMBL7438485 0.85 CYP1A2 (0.44) CASP1CASP3P2RX7SYKMAPT
SCHEMBL7433669 0.85 ATM (0.43) CASP1SYKMAPTATMKLK7
SCHEMBL7438347 0.85 CASP1 (0.41) CASP1SYKMAPTATMKLK7
SCHEMBL7441638 0.84 CASP1 (0.46) CASP1SYKATMKLK7KLK5
SCHEMBL7439592 0.84 CASP1 (0.39) CASP1CASP3P2RX7SYKMAPT

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