SCHEMBL9015965

SCHEMBL9015965

COc1ccc(CN2CCN(CCCCCOc3cc(C)c(O)c(C)c3C)CC2)c(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
ALOX5 P09917 8/20 0.56
CPT1B Q92523 1/20 0.56
CYP1A2 P05177 1/20 0.47
CHRM2 P08172 1/20 0.47
SLC6A4 P31645 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
APOBEC3A P31941 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
POLB P06746 1/20 0.46
SLC9A1 P19634 1/20 0.45

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 0.96 CPT1B (0.58) MEN1KMT2AKDM4EALDH1A1LMNA
Fumaric Acid SCHEMBL9296208 0.89 MEN1 (0.54) MEN1KMT2AKDM4EALDH1A1LMNA
Fumaric Acid SCHEMBL9296210 0.89 MEN1 (0.54) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL9295816 0.82 CPT1B (0.65) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL9015951 0.81 MEN1 (0.55) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL9015968 0.81 LMNA (0.47) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL9015980 0.80 CPT1B (0.73) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL9622306 0.80 ALOX5 (0.47) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL9015994 0.80 SMN1; SMN2 (0.59) MEN1KMT2AKDM4EALDH1A1ALOX5
SCHEMBL9016004 0.77 ALOX5 (0.54) MEN1KMT2AALDH1A1LMNAALOX5

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-0533579-B1 Trimetazidine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1996-12-04 EP claimed
US-5283246-A Trimetazidine compounds ADIR ET COMPAGNIE (FR) 1994-02-01 US claimed
EP-0533579-A1 Trimetazidine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-03-24 EP claimed
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