SCHEMBL7439864

SCHEMBL7439864

COC(=O)c1cccc(Cl)c1-c1nnn(CC(=O)C(CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CCc2ccccc2)C(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.43
CASP3 P42574 11/20 0.39
CASP8 Q14790 9/20 0.39
CASP6 P55212 6/20 0.39
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 1/20 0.36
HRH1 P35367 1/20 0.36
CASP7 P55210 2/20 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
SCHEMBL7433121 0.94 CASP1 (0.45) CASP1CASP3CASP8CASP6TP53
SCHEMBL7440025 0.93 CASP1 (0.48) CASP1CASP3CASP8CASP6ALDH1A1
SCHEMBL7432201 0.90 CASP1 (0.46) CASP1CASP3CASP8CASP6KDM4E
SCHEMBL7431066 0.87 CASP1 (0.48) CASP1CASP3CASP8KDM4ETP53
SCHEMBL7439311 0.87 CASP1 (0.48) CASP1CASP3CASP8CASP6KDM4E
SCHEMBL7436443 0.87 CASP1 (0.46) CASP1CASP3CASP8CASP6ALDH1A1
SCHEMBL7432214 0.86 CASP1 (0.48) CASP1CASP3CASP8CASP6TP53
SCHEMBL7440398 0.86 CASP1 (0.52) CASP1CASP3CASP8CASP6USP2
SCHEMBL7445736 0.86 CASP1 (0.49) CASP1CASP3CASP8CASP6KDM4E
SCHEMBL7434545 0.85 CASP1 (0.47) CASP1CASP3CASP8CASP6ALDH1A1

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 4 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 claimed
EP-0761680-A2 Tetrazole compounds having Interleukin-1beta converting enzyme inhibitory activity ONO PHARMACEUTICAL CO., LTD. (JP) 1997-03-12 EP claimed
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