SCHEMBL7432201

SCHEMBL7432201

COC(=O)c1ccccc1-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 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 6/20 0.46
CASP3 P42574 11/20 0.39
CASP8 Q14790 10/20 0.39
CASP6 P55212 3/20 0.39
CASP7 P55210 5/20 0.38
HRH1 P35367 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 2/20 0.37
POLB P06746 1/20 0.36
HPGD P15428 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
SCHEMBL7436111 0.91 CASP1 (0.49) CASP1CASP3CASP8CASP6CASP7
SCHEMBL7439864 0.90 CASP1 (0.43) CASP1CASP3CASP8CASP6CASP7
SCHEMBL7440398 0.89 CASP1 (0.52) CASP1CASP3CASP8CASP6CASP7
SCHEMBL7439311 0.89 CASP1 (0.48) CASP1CASP3CASP8CASP6CASP7
SCHEMBL7436443 0.87 CASP1 (0.46) CASP1CASP3CASP8CASP6CASP7
SCHEMBL7431066 0.86 CASP1 (0.48) CASP1CASP3CASP8CASP7HRH1
SCHEMBL7436395 0.86 USP2 (0.49) CASP1CASP3CASP8CASP7HRH1
SCHEMBL7438695 0.85 CASP1 (0.46) CASP1CASP3CASP8CASP6CASP7
SCHEMBL7432214 0.85 CASP1 (0.48) CASP1CASP3CASP8CASP6CASP7
SCHEMBL7434358 0.85 CASP1 (0.50) CASP1CASP3CASP8CASP6CASP7

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