SCHEMBL9799079

SCHEMBL9799079

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
G6PD P11413 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
CCR6 P51684 1/20 0.32
HIF1A Q16665 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PBK Q96KB5 5/20 0.32

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
SCHEMBL1245081 0.79 LMNA (0.42) LMNAKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL5516689 0.74 MAPT (0.37) LMNAKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL4912196 0.72 TSHR (0.39) LMNAKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL5382137 0.66 LMNA (0.42) LMNAKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL25879861 0.65 LMNA (0.38) LMNAKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL31305641 0.65 ACHE (0.50) LMNAKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL393790 0.65 ACHE (0.50) LMNAKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL2912790 0.63 SELL (0.48) LMNAKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL28823581 0.63 ACHE (0.48) LMNAKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL18109802 0.63 ACHE (0.48) LMNAKDM4EALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0125059-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1991-02-27 EP disclosed
EP-0095330-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1987-11-19 EP disclosed
US-4664693-A POSTEMERGENCE ICI AUSTRALIA LIMITED (AU) 1987-05-12 US disclosed
US-4511391-A Cyclohexane-1,3-dione derivatives and their herbicidal compositions and methods ICI AUSTRALIA LIMITED (AU) 1985-04-16 US disclosed
EP-0125059-A2 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1984-11-14 EP disclosed
EP-0095330-A1 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1983-11-30 EP disclosed