SCHEMBL7444633

SCHEMBL7444633

CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(=O)O)C(=O)Cn1nnc(N2CCCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 5/20 0.48
HRH1 P35367 3/20 0.41
CASP3 P42574 10/20 0.39
CASP8 Q14790 7/20 0.39
CASP7 P55210 4/20 0.39
CASP6 P55212 1/20 0.37
APAF1 O14727 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
CCR1 P32246 1/20 0.37

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
SCHEMBL7444637 0.99 CASP1 (0.48) CASP1HRH1CASP3CASP8CASP7
Hydrochloric Acid SCHEMBL7440303 0.99 CASP1 (0.48) CASP1HRH1CASP3CASP8CASP7
Hydrochloric Acid SCHEMBL7442485 0.98 CASP1 (0.47) CASP1HRH1CASP3CASP8CASP7
SCHEMBL7427023 0.91 CASP1 (0.41) CASP1HRH1CASP3
SCHEMBL7436591 0.90 CASP1 (0.41) CASP1HRH1CASP3APAF1MAPT
SCHEMBL7440398 0.87 CASP1 (0.52) CASP1HRH1CASP3CASP8CASP7
SCHEMBL8173169 0.85 CASP1 (0.50) CASP1HRH1CASP3CASP8CASP7
SCHEMBL7677924 0.84 CASP1 (0.55) CASP1HRH1CASP3CASP8CASP7
SCHEMBL7436111 0.84 CASP1 (0.49) CASP1HRH1CASP3CASP8CASP7
SCHEMBL7436395 0.84 USP2 (0.49) CASP1HRH1CASP3CASP8CASP7

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