SCHEMBL9806987

SCHEMBL9806987

Cc1cc(C)c(CC(=O)N(C)C)c(C)c1C=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP3A4 P08684 2/20 0.34
USP2 O75604 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
ALOX15 P16050 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAOB P27338 3/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGS2 P35354 1/20 0.30

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
SCHEMBL6971722 0.76 HPGD (0.36) HPGDHSD17B10MEN1KMT2APGK1
SCHEMBL8625037 0.75 HPGD (0.41) HPGDHSD17B10CYP3A4USP2MEN1
SCHEMBL30411660 0.75 HPGD (0.38) HPGDHSD17B10CYP3A4MEN1KMT2A
SCHEMBL6966666 0.75 HPGD (0.38) HPGDHSD17B10CYP3A4MEN1KMT2A
SCHEMBL30631691 0.75 HPGD (0.40) HPGDHSD17B10CYP3A4USP2MEN1
SCHEMBL18077441 0.73 HPGD (0.39) HPGDHSD17B10CYP3A4USP2MEN1
SCHEMBL8573718 0.73 ALDH1A1 (0.38) HPGDHSD17B10MEN1KMT2APOLB
SCHEMBL10701771 0.71 CYP3A4 (0.41) HPGDCYP3A4USP2MEN1KMT2A
SCHEMBL22599825 0.70 HSD17B10 (0.37) HPGDHSD17B10CYP3A4USP2MEN1
SCHEMBL6962732 0.70 ALDH1A1 (0.36) HPGDHSD17B10MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0211605-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1991-05-15 EP disclosed
US-4795487-A Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1989-01-03 US disclosed
EP-0211605-A2 Herbicidal Cyclohexane-1,3-dione Derivatives ICI AUSTRALIA LIMITED (AU) 1987-02-25 EP disclosed