SCHEMBL9722645

SCHEMBL9722645

CCC(=O)C1=C(O)CC(c2ccc3c(c2)CCC3)CC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 4/20 0.35
MGLL Q99685 1/20 0.35
MAP1LC3B Q9GZQ8 3/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
LMNA P02545 3/20 0.34
NPC1 O15118 1/20 0.34
TBXA2R P21731 1/20 0.34
PTGER1 P34995 1/20 0.34
PTGER2 P43116 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
SCHEMBL9722685 0.98 RAB9A (0.44) RAB9AKDM4EGAAMAPTMEN1
SCHEMBL9722650 0.91 MEN1 (0.43) RAB9AKDM4EGAAMAPTMEN1
SCHEMBL9722637 0.82 RAB9A (0.50) RAB9AKDM4EGAAMAPTMEN1
SCHEMBL9722644 0.82 RAB9A (0.50) RAB9AKDM4EGAAMAPTMEN1
SCHEMBL9727106 0.81 RAB9A (0.49) RAB9AKDM4EGAAMAPTMEN1
SCHEMBL9727109 0.81 RAB9A (0.49) RAB9AKDM4EGAAMAPTMEN1
SCHEMBL9727103 0.81 RAB9A (0.49) RAB9AKDM4EGAAMAPTMEN1
SCHEMBL9348719 0.80 RAB9A (0.54) RAB9AKDM4EGAAMAPTMEN1
SCHEMBL9722638 0.80 RAB9A (0.50) RAB9AKDM4EGAAMAPTMEN1
SCHEMBL9722635 0.80 RAB9A (0.50) RAB9AKDM4EGAAMAPTMEN1

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