SCHEMBL9837734

SCHEMBL9837734

COc1nc(C)c2c(c1C=O)CCCC2O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ UGT2B17 O75795 2/20 0.34
▸ ADORA3 P0DMS8 1/20 0.33
▸ GAA P10253 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL9838048 0.84 ADORA3 (0.32) UGT2B17ADORA3GAAHSD17B10
SCHEMBL9838044 0.84 ADORA3 (0.32) UGT2B17ADORA3GAAHSD17B10
SCHEMBL9839299 0.76 KDM4E (0.33) HSD17B10
SCHEMBL16806287 0.65 IGF1R (0.32) GAA
SCHEMBL16994561 0.64 AKR1B1 (0.39) UGT2B17GAAHSD17B10
SCHEMBL10286041 0.62 ACHE (0.38) UGT2B17
SCHEMBL6333420 0.61 PDE10A (0.35) —
SCHEMBL9838954 0.61 KDM4E (0.35) GAAHSD17B10
SCHEMBL9838959 0.61 KDM4E (0.35) GAAHSD17B10
SCHEMBL10286089 0.61 ACHE (0.38) UGT2B17

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
EP-0124992-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1991-05-29 — — EP disclosed
US-4680400-A Herbicidal cyclohexane-1,3-dione-5-isoquinoline derivatives ICI AUSTRALIA LIMITED (AU) 1987-07-14 — — US disclosed
US-4640708-A Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1987-02-03 — — US disclosed
EP-0124992-A1 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1984-11-14 — — EP disclosed
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