SCHEMBL7429213

SCHEMBL7429213

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.42
REN P00797 2/20 0.38
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.36
BACE1 P56817 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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 0.90 CASP1 (0.49) CASP1TP53
SCHEMBL7429733 0.89 CASP1 (0.42) CASP1RENTP53
SCHEMBL7432245 0.87 CASP1 (0.42) CASP1RENBACE1
SCHEMBL7427023 0.86 CASP1 (0.41) CASP1RENBACE1
SCHEMBL7436591 0.85 CASP1 (0.41) CASP1RENBACE1
SCHEMBL7440398 0.84 CASP1 (0.52) CASP1TP53MEN1KMT2A
SCHEMBL7439311 0.84 CASP1 (0.48) CASP1NPC1HPGDRAB9AL3MBTL1
SCHEMBL7432201 0.83 CASP1 (0.46) CASP1HPGDTP53
SCHEMBL7441347 0.82 CYP1A2 (0.48) RENTP53BACE1MEN1KMT2A
SCHEMBL7436443 0.82 CASP1 (0.46) CASP1NPC1HPGDRAB9AL3MBTL1

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