SCHEMBL9799080

SCHEMBL9799080

CCCCCC1CC(=O)C(CCCCC)C(=O)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.50
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HLCS P50747 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 2/20 0.37
TP53 P04637 1/20 0.35
PPARG P37231 2/20 0.35
NOS1 P29475 3/20 0.34
NOS2 P35228 3/20 0.34
NOS3 P29474 2/20 0.34
TLR4 O00206 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL1036088 0.80 CYP1A2 (0.46) CYP1A2ALDH1A1L3MBTL1HLCSMEN1
SCHEMBL2691445 0.80 CYP1A2 (0.55) CYP1A2ALDH1A1L3MBTL1HLCSMEN1
SCHEMBL11861937 0.78 CYP1A2 (0.48) CYP1A2ALDH1A1L3MBTL1HLCSMEN1
SCHEMBL10704088 0.78 CYP1A2 (0.48) CYP1A2ALDH1A1L3MBTL1HLCSMEN1
SCHEMBL2690939 0.78 CYP1A2 (0.53) CYP1A2ALDH1A1L3MBTL1HLCSMEN1
SCHEMBL6707183 0.78 CYP1A2 (0.53) CYP1A2ALDH1A1L3MBTL1HLCSMEN1
SCHEMBL19976638 0.78 CYP1A2 (0.53) CYP1A2ALDH1A1L3MBTL1HLCSMEN1
SCHEMBL12648342 0.77 CYP1A2 (0.45) CYP1A2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL12648393 0.77 CYP1A2 (0.45) CYP1A2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL10564505 0.77 POLB (0.39)

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0104876-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1991-12-27 EP claimed
EP-0176294-B1 CYCLOHEXANE-1,3-DIONE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PROCESSES FOR PREPARING THEM, AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS ICI AUSTRALIA LIMITED (AU) 1991-06-05 EP claimed
EP-0124992-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1991-05-29 EP claimed
EP-0125094-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1991-04-24 EP claimed
EP-0252629-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1991-04-17 EP claimed
EP-0125059-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1991-02-27 EP claimed
EP-0133349-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1988-09-21 EP claimed
EP-0252629-A1 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1988-01-13 EP claimed
EP-0095330-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1987-11-19 EP claimed
EP-0176294-A1 Cyclohexane-1,3-dione derivatives, compositions containing them, processes for preparing them, and their use as herbicides and plant growth regulators ICI AUSTRALIA LIMITED (AU) 1986-04-02 EP claimed
EP-0133349-A1 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1985-02-20 EP claimed
EP-0124992-A1 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1984-11-14 EP claimed
EP-0125059-A2 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1984-11-14 EP claimed
EP-0125094-A2 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1984-11-14 EP claimed
EP-0104876-A2 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1984-04-04 EP claimed
EP-0102823-A2 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1984-03-14 EP claimed
EP-0095330-A1 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1983-11-30 EP claimed
EP-0104876-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1991-12-27 EP disclosed
EP-0102823-A2 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1984-03-14 EP disclosed
EP-0095330-A1 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1983-11-30 EP disclosed