SCHEMBL9239236

SCHEMBL9239236

CC(C)C1CCC(=O)C(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.40
HPGD P15428 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL9191354 0.80 HPD (0.67) HPDSMN1; SMN2MEN1PKMKMT2A
SCHEMBL9711611 0.77 HPD (0.49) HPDSMN1; SMN2MEN1PKMKMT2A
SCHEMBL8693826 0.76 SMN1; SMN2 (0.46) HPDSMN1; SMN2MEN1PKMKMT2A
SCHEMBL9594452 0.76 HPD (0.48) HPDSMN1; SMN2MEN1PKMKMT2A
SCHEMBL9595309 0.75 HPD (0.44) HPDSMN1; SMN2MEN1PKMKMT2A
SCHEMBL9240067 0.75 HPD (0.46) HPDSMN1; SMN2MEN1PKMKMT2A
SCHEMBL10384189 0.75 HPD (0.44) HPDSMN1; SMN2MEN1PKMKMT2A
SCHEMBL10584273 0.75 HPD (0.44) HPDSMN1; SMN2MEN1PKMKMT2A
SCHEMBL10384013 0.75 HPD (0.44) HPDSMN1; SMN2MEN1PKMKMT2A
SCHEMBL9594451 0.74 HPD (0.47) HPDSMN1; SMN2MEN1PKMKMT2A

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 6 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
EP-0496757-B1 PROCESS FOR ERADICATING RICE WEEDS HOECHST SCHERING AGREVO GMBH (DE) 1995-07-12 EP disclosed
US-5318947-A Preemergence and postemergence herbicides HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-07 US 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
EP-0496757-A1 PROCESS FOR ERADICATING RICE WEEDS. HOECHST AG (DE) 1992-08-05 EP disclosed
WO-1991005470-A1 PROCESS FOR ERADICATING RICE WEEDS HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-02 WO disclosed