SCHEMBL7429462

SCHEMBL7429462

CNC(=O)[C@@H](NC(=O)c1cccc(-c2nnn(CC(=O)C(CC(=O)O)NC(=O)OCc3ccccc3)n2)c1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CASP1 P29466 10/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TP53 P04637 1/20 0.44
CASP3 P42574 8/20 0.42
CASP7 P55210 6/20 0.42
CASP9 P55211 2/20 0.42
CASP4 P49662 1/20 0.41
CASP10 Q92851 1/20 0.41
CASP8 Q14790 1/20 0.41
CTSK P43235 1/20 0.40

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
SCHEMBL7439016 1.00 ALDH1A1 (0.46) ALDH1A1LMNAHTTSMN1; SMN2TDP1
SCHEMBL7438266 1.00 ALDH1A1 (0.46) ALDH1A1LMNAHTTSMN1; SMN2TDP1
SCHEMBL7436207 0.92 CYP1A2 (0.47) CASP1CYP1A2CYP2C9CYP2C19TP53
SCHEMBL7436931 0.92 CASP1 (0.48) ALDH1A1LMNAHTTSMN1; SMN2TDP1
SCHEMBL7495339 0.91 SMN1; SMN2 (0.42) ALDH1A1LMNAHTTSMN1; SMN2TDP1
SCHEMBL7492068 0.91 SMN1; SMN2 (0.42) ALDH1A1LMNAHTTSMN1; SMN2TDP1
SCHEMBL7444952 0.91 SMN1; SMN2 (0.42) ALDH1A1LMNAHTTSMN1; SMN2TDP1
SCHEMBL7427222 0.91 SMN1; SMN2 (0.52) ALDH1A1LMNAHTTSMN1; SMN2TDP1
SCHEMBL7444131 0.88 CASP1 (0.43) CASP1CYP1A2CYP2C9CYP2C19CASP3
SCHEMBL7436378 0.86 LMNA (0.47) ALDH1A1LMNAHTTSMN1; SMN2TDP1

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