SCHEMBL7436111

SCHEMBL7436111

CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(=O)O)C(=O)Cn1nnc(-c2ccccc2-c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 8/20 0.49
CASP3 P42574 14/20 0.40
CASP8 Q14790 11/20 0.40
CASP7 P55210 6/20 0.40
HRH1 P35367 1/20 0.39
CASP6 P55212 3/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL7440398 0.94 CASP1 (0.52) CASP1CASP3CASP8CASP7HRH1
SCHEMBL7439311 0.93 CASP1 (0.48) CASP1CASP3CASP8CASP7HRH1
SCHEMBL7436443 0.91 CASP1 (0.46) CASP1CASP3CASP8CASP7HRH1
SCHEMBL7432201 0.91 CASP1 (0.46) CASP1CASP3CASP8CASP7HRH1
SCHEMBL7429213 0.90 CASP1 (0.42) CASP1TP53
SCHEMBL7436395 0.90 USP2 (0.49) CASP1CASP3CASP8CASP7HRH1
SCHEMBL7432214 0.89 CASP1 (0.48) CASP1CASP3CASP8CASP7HRH1
SCHEMBL7434358 0.89 CASP1 (0.50) CASP1CASP3CASP8CASP7HRH1
Hydrochloric Acid SCHEMBL7434212 0.89 USP2 (0.49) CASP1CASP3CASP8CASP7HRH1
SCHEMBL7438171 0.89 CASP1 (0.48) CASP1TP53

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