SCHEMBL9722653

SCHEMBL9722653

CCON=C(CC)C1=C(C(=O)c2ccccc2)CC(c2ccc3c(c2)CCC3)CC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
MAPT P10636 4/20 0.37
GAA P10253 3/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 5/20 0.34
HTT P42858 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 4/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33

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
SCHEMBL9722651 1.00 RAB9A (0.39) RAB9APPARGPPARAMAPTGAA
SCHEMBL9722637 0.83 RAB9A (0.50) RAB9AMAPTGAAKDM4ENPC1
SCHEMBL9722644 0.83 RAB9A (0.50) RAB9AMAPTGAAKDM4ENPC1
SCHEMBL9727106 0.82 RAB9A (0.49) RAB9AMAPTGAAKDM4ENPC1
SCHEMBL9727109 0.82 RAB9A (0.49) RAB9AMAPTGAAKDM4ENPC1
SCHEMBL9727103 0.82 RAB9A (0.49) RAB9AMAPTGAAKDM4ENPC1
SCHEMBL9722638 0.81 RAB9A (0.50) RAB9AMAPTGAAKDM4ENPC1
SCHEMBL9722635 0.81 RAB9A (0.50) RAB9AMAPTGAAKDM4ENPC1
SCHEMBL9722666 0.75 MEN1 (0.49) RAB9AMAPTGAAKDM4ENPC1
SCHEMBL9722662 0.75 MEN1 (0.49) RAB9AMAPTGAAKDM4ENPC1

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 4 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
US-4952722-A CYCLOHEX-2-EN-1-ONE DERIVATIVES; HERBICIDES ICI AUSTRALIA LIMITED (AU) 1990-08-28 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