SCHEMBL9300076

SCHEMBL9300076

CC1(C)CCC(=O)C(C(=O)c2ccc(OC(F)F)cc2[N+](=O)[O-])C1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.45
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
MAPK1 P28482 2/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
RXRA P19793 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ALDH3A1 P30838 1/20 0.33
PKM P14618 1/20 0.32
EIF4E P06730 1/20 0.32
PDE2A O00408 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GLA P06280 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL9300399 0.84 HPD (0.39) HPDMEN1KMT2AMAPK1HTT
SCHEMBL9571658 0.83 HPD (0.63) HPDMEN1KMT2AMAPK1HTT
SCHEMBL9240067 0.81 HPD (0.46) HPDMEN1KMT2AMAPK1ALDH1A1
SCHEMBL9133822 0.81 HPD (0.70) HPDMEN1KMT2AMAPK1MAPT
SCHEMBL909773 0.80 HPD (0.45) HPDMEN1KMT2AMAPK1HTT
SCHEMBL732545 0.79 ALDH1A1 (0.42) HPDMEN1KMT2ALMNAALDH1A1
SCHEMBL29508671 0.79 ALDH1A1 (0.42) HPDMEN1KMT2ALMNAALDH1A1
SCHEMBL9441394 0.77 HPD (0.36) HPDMEN1KMT2AMAPK1HTT
SCHEMBL997958 0.72 HPD (0.39) HPDMEN1KMT2AMAPK1HTT
SCHEMBL9300807 0.71 EIF4E (0.47) MEN1KMT2AMAPK1HTTLMNA

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
EP-0563817-A2 Salts of 2-benzoyl-cyclohexane diones, selective herbicidal agents, process for their preparation and their use for combatting weeds HOECHST AKTIENGESELLSCHAFT (DE) 1993-10-06 EP claimed
JP-6065135-A None JP disclosed
JP-H0665135-A SALT OF 2-BENZOYLCYCLOHEXANEDIONE, SELECTIVE HERBICIDE, ITS PREPARATION AND USE THEREOF FOR CONTROLLING WEED HOECHST AG 1994-03-08 JP disclosed
EP-0563817-A2 Salts of 2-benzoyl-cyclohexane diones, selective herbicidal agents, process for their preparation and their use for combatting weeds HOECHST AKTIENGESELLSCHAFT (DE) 1993-10-06 EP disclosed