SCHEMBL11218005

SCHEMBL11218005

CCO/N=C(/CC)C1=C(O)CC(c2c(C)c(C)c(C)c(C)c2C)CC1=O.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
MAPT P10636 6/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
LMNA P02545 5/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TSHR P16473 1/20 0.32
LDHA P00338 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
SCHEMBL11218007 1.00 RAB9A (0.46) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL10680083 0.99 RAB9A (0.47) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL10680089 0.99 RAB9A (0.47) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL10704990 0.90 MEN1 (0.46) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL10704982 0.90 MEN1 (0.46) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL10886290 0.90 RAB9A (0.41) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL10886284 0.90 RAB9A (0.41) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL10506427 0.89 RAB9A (0.42) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL10506420 0.89 RAB9A (0.42) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL9807001 0.89 RAB9A (0.40) RAB9AMAPTKDM4EGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0080301-A2 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1983-06-01 EP claimed