SCHEMBL9015994

SCHEMBL9015994

COc1cc(CN2CCN(CCCOc3cc(C)c(O)c(C)c3C)CC2)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.59
TDP1 Q9NUW8 2/20 0.56
ALOX5 P09917 8/20 0.55
SLC29A1 Q99808 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
KCNH2 Q12809 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 2/20 0.47

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
SCHEMBL9015966 0.84 CPT1B (0.58) ALOX5KDM4EMEN1ALDH1A1KMT2A
SCHEMBL9016004 0.83 ALOX5 (0.54) SMN1; SMN2ALOX5SLC29A1MEN1ALDH1A1
SCHEMBL9015965 0.80 MEN1 (0.57) ALOX5KDM4EMEN1ALDH1A1KMT2A
SCHEMBL11400309 0.78 SMN1; SMN2 (0.78) SMN1; SMN2TDP1SLC29A1KDM4EMEN1
Fumaric Acid SCHEMBL9296210 0.77 MEN1 (0.54) ALOX5KDM4EMEN1ALDH1A1KMT2A
Fumaric Acid SCHEMBL9296208 0.77 MEN1 (0.54) ALOX5KDM4EMEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL10334149 0.74 KDM4E (0.75) SMN1; SMN2TDP1KDM4EMEN1ALDH1A1
SCHEMBL25834338 0.73 KDM4E (0.69) SMN1; SMN2TDP1KDM4EMEN1ALDH1A1
SCHEMBL9622306 0.72 ALOX5 (0.47) ALOX5KDM4EMEN1ALDH1A1KMT2A
SCHEMBL9832407 0.70 KDM4E (0.81) SMN1; SMN2TDP1KDM4EMEN1ALDH1A1

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 3 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
US-5283246-A Trimetazidine compounds ADIR ET COMPAGNIE (FR) 1994-02-01 US disclosed
EP-0533579-A1 Trimetazidine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-03-24 EP disclosed