SCHEMBL9727103

SCHEMBL9727103

CCO/N=C(/CC)C1=C(O)CC(c2ccc3c(c2)CCC3)CC1=O.[NaH]

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
MAPT P10636 5/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 4/20 0.39
HTT P42858 3/20 0.39
LMNA P02545 6/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 2/20 0.37
CASP1 P29466 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.35
MAP1LC3B Q9GZQ8 1/20 0.34
MDM2 Q00987 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
SCHEMBL9727106 1.00 RAB9A (0.49) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL9722644 0.99 RAB9A (0.50) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL9722637 0.99 RAB9A (0.50) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL9727109 0.98 RAB9A (0.49) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL9722635 0.97 RAB9A (0.50) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL9722638 0.97 RAB9A (0.50) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL9722666 0.91 MEN1 (0.49) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL9722662 0.91 MEN1 (0.49) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL9722653 0.82 RAB9A (0.39) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL9722651 0.82 RAB9A (0.39) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5110989-A Pre- and postemergence; plant growth regulators ICI AUSTRALIA LIMITED (AU) 1992-05-05 US disclosed
EP-0086588-B1 CYCLOHEXANEDIONE DERIVATIVES, THEIR USE AS HERBICIDES, HERBICIDAL COMPOSITIONS CONTAINING THEM, AND METHODS OF PREPARING THEM ICI AUSTRALIA LIMITED (AU) 1987-07-01 EP disclosed
EP-0086588-A2 Cyclohexanedione derivatives, their use as herbicides, herbicidal compositions containing them, and methods of preparing them ICI AUSTRALIA LIMITED (AU) 1983-08-24 EP disclosed