SCHEMBL7440398

SCHEMBL7440398

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 5/20 0.52
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
USP2 O75604 1/20 0.42
CASP3 P42574 7/20 0.42
CASP8 Q14790 6/20 0.42
CASP7 P55210 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HRH1 P35367 1/20 0.40
CASP6 P55212 1/20 0.40

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
SCHEMBL7436395 0.96 USP2 (0.49) CASP1TP53PKMHTTUSP2
SCHEMBL7438171 0.95 CASP1 (0.48) CASP1TP53HTTMEN1KMT2A
Hydrochloric Acid SCHEMBL7434212 0.95 USP2 (0.49) CASP1TP53PKMHTTUSP2
SCHEMBL7436111 0.94 CASP1 (0.49) CASP1TP53CASP3CASP8CASP7
SCHEMBL7446340 0.93 TP53 (0.52) CASP1TP53PKMHTTUSP2
SCHEMBL7432733 0.93 CASP1 (0.48) CASP1TP53PKMHTTUSP2
SCHEMBL7443993 0.93 MEN1 (0.46) CASP1TP53PKMHTTUSP2
Hydrochloric Acid SCHEMBL7438893 0.92 CASP1 (0.47) CASP1TP53PKMHTTUSP2
SCHEMBL7434545 0.92 CASP1 (0.47) CASP1TP53PKMHTTCASP3
SCHEMBL7432214 0.92 CASP1 (0.48) CASP1TP53PKMHTTCASP3

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