SCHEMBL9015995

SCHEMBL9015995

COc1ccc(CN2CCN(CCCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)c(OC)c1OC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1B Q92523 1/20 0.74
TDP1 Q9NUW8 1/20 0.55
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 6/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 4/20 0.48
GAA P10253 2/20 0.48
TSHR P16473 2/20 0.48
POLB P06746 2/20 0.48
THRB P10828 1/20 0.48
HPGD P15428 1/20 0.48
CYP1A2 P05177 1/20 0.48
CHRM2 P08172 1/20 0.48
SLC6A4 P31645 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
PKM P14618 1/20 0.48
APOBEC3A P31941 1/20 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
SCHEMBL9015962 0.87 CPT1B (0.75) CPT1BTDP1ALDH1A1KDM4EMEN1
SCHEMBL2885813 0.85 CPT1B (1.00) CPT1BTDP1ALDH1A1KDM4EMEN1
SCHEMBL9015980 0.85 CPT1B (0.73) CPT1BTDP1ALDH1A1KDM4EMEN1
SCHEMBL9623012 0.84 CPT1B (0.56) CPT1BTDP1ALDH1A1KDM4EMEN1
SCHEMBL9015998 0.83 CPT1B (0.93) CPT1BTDP1ALDH1A1KDM4EMEN1
SCHEMBL9015974 0.81 CPT1B (0.73) CPT1BTDP1ALDH1A1KDM4EMEN1
SCHEMBL11403123 0.80 KDM4E (0.69) ALDH1A1KDM4EMEN1KMT2ALMNA
Fumaric Acid SCHEMBL29802140 0.79 CPT1B (0.86) CPT1BTDP1ALDH1A1KDM4EMEN1
SCHEMBL8102803 0.78 CPT1B (0.60) CPT1B
SCHEMBL9015960 0.77 CPT1B (0.73) CPT1BTDP1ALDH1A1KDM4EMEN1

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
US-5283246-A Trimetazidine compounds ADIR ET COMPAGNIE (FR) 1994-02-01 US 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