SCHEMBL7436591

SCHEMBL7436591

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(N2CCCCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.41
REN P00797 5/20 0.39
BACE1 P56817 3/20 0.36
HRH1 P35367 5/20 0.36
APAF1 O14727 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
POLB P06746 1/20 0.35
CASP3 P42574 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSK P43235 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
SCHEMBL7427023 0.99 CASP1 (0.41) CASP1RENBACE1HRH1POLB
SCHEMBL7444637 0.91 CASP1 (0.48) CASP1HRH1APAF1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7442485 0.90 CASP1 (0.47) CASP1HRH1APAF1MAPTSMN1; SMN2
SCHEMBL7444633 0.90 CASP1 (0.48) CASP1HRH1APAF1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7440303 0.89 CASP1 (0.48) CASP1HRH1APAF1MAPTSMN1; SMN2
SCHEMBL7429213 0.85 CASP1 (0.42) CASP1RENBACE1
SCHEMBL7429733 0.83 CASP1 (0.42) CASP1RENHRH1CASP3
SCHEMBL7432245 0.80 CASP1 (0.42) CASP1RENBACE1HRH1CASP3
SCHEMBL8696911 0.79 CASP1 (0.43) CASP1CTSLCTSBCTSK
SCHEMBL7427132 0.79 CASP1 (0.51) CASP1RENBACE1CASP3

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