SCHEMBL9722722

SCHEMBL9722722

CCON=C(CC)C1=C(O)CC(c2c(C)c3c(c(S(=O)(=O)N(C)C)c2C)CCC3)CC1=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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
SCHEMBL9722652 0.89 RAB9A (0.34) RAB9AKDM4EGAAMAPT
SCHEMBL10682587 0.85 RAB9A (0.39) RAB9AKDM4EGAAMAPTLMNA
SCHEMBL10682593 0.85 RAB9A (0.39) RAB9AKDM4EGAAMAPTLMNA
SCHEMBL9727101 0.85 RAB9A (0.30) RAB9A
SCHEMBL10680505 0.80 RAB9A (0.41) RAB9AKDM4EGAAMAPTLMNA
SCHEMBL10680512 0.80 RAB9A (0.41) RAB9AKDM4EGAAMAPTLMNA
SCHEMBL10680083 0.79 RAB9A (0.47) RAB9AKDM4EGAAMAPTLMNA
SCHEMBL10680089 0.79 RAB9A (0.47) RAB9AKDM4EGAAMAPTLMNA
SCHEMBL11218007 0.78 RAB9A (0.46) RAB9AKDM4EGAAMAPTLMNA
SCHEMBL11218005 0.78 RAB9A (0.46) RAB9AKDM4EGAAMAPTLMNA

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