SCHEMBL6131789

SCHEMBL6131789

CCOC(=O)COc1cc(C=O)ccc1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.60
LMNA P02545 1/20 0.60
TACR2 P21452 1/20 0.57
ALDH1A1 P00352 8/20 0.56
MAPK1 P28482 2/20 0.50
NTSR1 P30989 2/20 0.50
HPGD P15428 2/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
APP P05067 4/20 0.49
ABCB1 P08183 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
AKR1C3 P42330 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
SCHEMBL2008196 0.88 ALDH1A1 (0.69) KDM4ETACR2ALDH1A1HPGDMAPT
SCHEMBL1609108 0.86 TACR2 (0.75) KDM4ELMNATACR2ALDH1A1MAPK1
SCHEMBL662145 0.86 TACR2 (0.75) KDM4ELMNATACR2ALDH1A1MAPK1
SCHEMBL13858849 0.86 ALDH1A1 (0.74) KDM4ELMNATACR2ALDH1A1HPGD
SCHEMBL28484291 0.85 ALDH1A1 (0.58) KDM4EALDH1A1HPGDMAPTHTT
SCHEMBL7914606 0.85 NPC1 (0.56) KDM4ELMNAALDH1A1MAPK1HPGD
SCHEMBL29446267 0.84 TACR2 (0.62) KDM4ELMNATACR2ALDH1A1MAPK1
SCHEMBL584489 0.84 TACR2 (0.62) KDM4ELMNATACR2ALDH1A1MAPK1
SCHEMBL13215072 0.84 KDM4E (0.52) KDM4ELMNAALDH1A1MAPK1HPGD
SCHEMBL15952102 0.82 TACR2 (0.60) KDM4ELMNATACR2ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032559-A4 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2005-05-25 EP claimed
EP-1032559-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2000-09-06 EP claimed
WO-1999016746-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 1999-04-08 WO claimed
EP-1032559-A4 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2005-05-25 EP disclosed
US-6479495-B1 SIMULTANEOUSLY TREATING DEPRESSION AND MEMORY DYSFUNCTION IN MAMMALS SUFFERING FROM MEMORY DYSFUNCTION AND DEPRESSION AVENTIS PHARMACEUTICALS INC. 2002-11-12 US disclosed
EP-1032559-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2000-09-06 EP disclosed
WO-1999016746-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 1999-04-08 WO disclosed