SCHEMBL9016004

SCHEMBL9016004

COc1cc(OC)c(CN2CCN(CCCOc3cc(C)c(O)c(C)c3C)CC2)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.54
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR2A P28223 4/20 0.41
HTR7 P34969 4/20 0.41
HTR1A P08908 4/20 0.41
DRD2 P14416 2/20 0.41
ADRA1A P35348 2/20 0.41
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
EHMT2 Q96KQ7 1/20 0.40
EHMT1 Q9H9B1 1/20 0.40
LMNA P02545 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2D6 P10635 1/20 0.40
ADRA2C P18825 1/20 0.40
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 1/20 0.40
EBP Q15125 1/20 0.40

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
SCHEMBL9015994 0.83 SMN1; SMN2 (0.59) ALOX5MEN1ALDH1A1KMT2AKCNH2
SCHEMBL9015966 0.81 CPT1B (0.58) ALOX5MEN1ALDH1A1KMT2ALMNA
SCHEMBL9015965 0.77 MEN1 (0.57) ALOX5MEN1ALDH1A1KMT2ALMNA
Fumaric Acid SCHEMBL9296210 0.74 MEN1 (0.54) ALOX5MEN1ALDH1A1KMT2ALMNA
Fumaric Acid SCHEMBL9296208 0.74 MEN1 (0.54) ALOX5MEN1ALDH1A1KMT2ALMNA
SCHEMBL9622306 0.69 ALOX5 (0.47) ALOX5MEN1ALDH1A1KMT2ALMNA
Hydrochloric Acid SCHEMBL2193293 0.67 ALOX5 (1.00) ALOX5MEN1ALDH1A1KMT2A
SCHEMBL9380612 0.67 ALOX5 (0.49) ALOX5ALDH1A1KMT2AHTR2AHTR1A
SCHEMBL27857935 0.67 ALDH1A1 (0.50) MEN1ALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL5546075 0.66 GAA (0.52) MEN1ALDH1A1KMT2ADRD2LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0533579-B1 Trimetazidine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1996-12-04 EP disclosed
EP-0533579-A1 Trimetazidine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-03-24 EP disclosed