SCHEMBL7434308

SCHEMBL7434308

CC(C)C(NC(=O)c1ccccc1-c1nnn(CC(=O)C(CC(=O)O)NC(=O)OCc2ccccc2)n1)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 10/20 0.46
KCNA5 P22460 1/20 0.44
CASP3 P42574 6/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ECE1 P42892 1/20 0.41

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
SCHEMBL7444131 0.92 CASP1 (0.43) CASP1CASP3CYP1A2CYP2C9CYP2C19
SCHEMBL8695580 0.91 CYP1A2 (0.41) CASP1KCNA5CASP3CYP1A2CYP2C9
SCHEMBL7438010 0.89 CASP1 (0.49) CASP1CYP1A2CYP2C9CYP2C19ECE1
SCHEMBL7436931 0.88 CASP1 (0.48) CASP1CASP3CYP1A2CYP2C9CYP2C19
SCHEMBL7445128 0.86 CYP1A2 (0.50) CASP1CASP3CYP1A2CYP2C9CYP2C19
SCHEMBL7430673 0.85 CYP1A2 (0.48) CASP1CASP3CYP1A2CYP2C9CYP2C19
SCHEMBL7444224 0.84 CASP1 (0.45) CASP1CASP3CYP1A2CYP2C9CYP2C19
SCHEMBL7426313 0.83 CYP1A2 (0.53) CASP1CYP1A2CYP2C9CYP2C19
SCHEMBL7431697 0.83 CYP1A2 (0.40) CASP1CASP3CYP1A2CYP2C9CYP2C19
SCHEMBL7435530 0.81 CYP1A2 (0.63) CASP1CYP1A2CYP2C9CYP2C19

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