SCHEMBL7446340

SCHEMBL7446340

CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(=O)O)C(=O)Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.52
CASP1 P29466 1/20 0.52
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CASP3 P42574 1/20 0.40
THRB P10828 1/20 0.40
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL7440398 0.93 CASP1 (0.52) TP53CASP1CASP3PKMHTT
SCHEMBL7436395 0.91 USP2 (0.49) TP53CASP1CASP3PKMHTT
SCHEMBL7438171 0.90 CASP1 (0.48) TP53CASP1MAPTALDH1A1HTT
Hydrochloric Acid SCHEMBL7434212 0.90 USP2 (0.49) TP53CASP1CASP3PKMHTT
SCHEMBL7440999 0.89 CASP1 (0.51) TP53CASP1CASP3
SCHEMBL7677924 0.89 CASP1 (0.55) CASP1CASP3
SCHEMBL7443993 0.88 MEN1 (0.46) TP53CASP1ALDH1A1LMNACASP3
SCHEMBL7434358 0.87 CASP1 (0.50) TP53CASP1CASP3
SCHEMBL7436111 0.87 CASP1 (0.49) TP53CASP1CASP3
SCHEMBL7432733 0.87 CASP1 (0.48) TP53CASP1ALDH1A1CASP3PKM

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