SCHEMBL7433121

SCHEMBL7433121

CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(=O)O)C(=O)Cn1nnc(-c2c(Cl)cccc2C(=O)O)n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 5/20 0.45
CASP3 P42574 11/20 0.38
CASP8 Q14790 9/20 0.38
CASP6 P55212 4/20 0.38
CASP7 P55210 4/20 0.36
TP53 P04637 1/20 0.36
HRH1 P35367 1/20 0.36
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL7440025 0.96 CASP1 (0.48) CASP1CASP3CASP8CASP6CASP7
SCHEMBL7439864 0.94 CASP1 (0.43) CASP1CASP3CASP8CASP6CASP7
SCHEMBL7439311 0.90 CASP1 (0.48) CASP1CASP3CASP8CASP6CASP7
SCHEMBL7436443 0.89 CASP1 (0.46) CASP1CASP3CASP8CASP6CASP7
SCHEMBL7432214 0.89 CASP1 (0.48) CASP1CASP3CASP8CASP6CASP7
SCHEMBL7440398 0.89 CASP1 (0.52) CASP1CASP3CASP8CASP6CASP7
SCHEMBL7445736 0.88 CASP1 (0.49) CASP1CASP3CASP8CASP6CASP7
SCHEMBL7434545 0.88 CASP1 (0.47) CASP1CASP3CASP8CASP6CASP7
SCHEMBL7434358 0.88 CASP1 (0.50) CASP1CASP3CASP8CASP6CASP7
SCHEMBL7438171 0.88 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