SCHEMBL8094145

SCHEMBL8094145

[3H]c1ccc2c(c1OC(C)=O)C(=O)NC2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ HPGD P15428 4/20 0.47
▸ HSD17B10 Q99714 4/20 0.47
▸ GAA P10253 1/20 0.47
▸ CASP3 P42574 4/20 0.41
▸ CASP7 P55210 2/20 0.38
▸ CASP2 P42575 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ CASP8 Q14790 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ TTR P02766 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ HSP90AA1 P07900 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ABCC4 O15439 1/20 0.37
▸ USP2 O75604 1/20 0.37

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
SCHEMBL6634972 0.86 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL8094143 0.79 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL28177430 0.75 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL6562742 0.74 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL28119318 0.74 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL8080587 0.74 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL28633753 0.73 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL9768590 0.72 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL19667897 0.72 CYP4F2 (0.40) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL8087977 0.71 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6160128-A Tritioacetylating reagents and processes for preparation thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-12-12 — — US disclosed
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