SCHEMBL10679795

SCHEMBL10679795

CCC/C(=N\OCC)C1=C(O)CC(c2c(C)c(C)c(C)c(C)c2C)CC1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
RAB9A P51151 1/20 0.43
MAPT P10636 6/20 0.40
LMNA P02545 4/20 0.40
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HPGD P15428 2/20 0.35
LDHA P00338 1/20 0.31
PKM P14618 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
SCHEMBL10679800 1.00 MEN1 (0.47) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL10704990 0.99 MEN1 (0.46) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL10704982 0.99 MEN1 (0.46) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL10685795 0.96 MEN1 (0.46) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL10685801 0.96 MEN1 (0.46) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL10506093 0.93 MEN1 (0.42) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL10506091 0.93 MEN1 (0.42) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL10503653 0.93 MEN1 (0.43) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL10503659 0.93 MEN1 (0.43) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL10504309 0.92 MEN1 (0.43) MEN1KMT2AALDH1A1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0080301-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1988-08-24 EP claimed
EP-0080301-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1988-08-24 EP disclosed
US-4760192-A Herbicidal cyclohexane-1,3-dione derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-07-26 US disclosed
US-4717418-A CEREAL SELECTIVE HERBICIDES ICI AUSTRALIA LIMITED (AU) 1988-01-05 US disclosed
EP-0080301-A2 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1983-06-01 EP disclosed