SCHEMBL7102995

SCHEMBL7102995

COc1cc(-c2coc3cc(OCc4ccccc4)ccc3c2=O)ccc1OCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.67
NPC1 O15118 4/20 0.67
RAB9A P51151 4/20 0.67
ALDH1A1 P00352 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
KDM4E B2RXH2 3/20 0.60
TP53 P04637 2/20 0.60
MAPK1 P28482 1/20 0.60
HSD17B10 Q99714 1/20 0.60
CYP3A4 P08684 1/20 0.58
HPGD P15428 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TERT O14746 1/20 0.57
ACHE P22303 2/20 0.54
NPY1R P25929 1/20 0.54
NPY2R P49146 1/20 0.54
XDH P47989 1/20 0.54
ALDH2 P05091 2/20 0.53
MAOA P21397 2/20 0.53

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
SCHEMBL11558340 0.97 MAPT (0.72) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL950959 0.88 MAPT (0.72) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL24288764 0.86 ALDH2 (0.65) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL27769243 0.85 ALDH1A1 (0.68) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL16335646 0.84 ALDH1A1 (0.69) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL3419148 0.83 ALDH2 (0.74) XDHALDH2MAOAMAOB
SCHEMBL29482681 0.81 RAB9A (1.00) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL571161 0.81 RAB9A (1.00) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL11560028 0.81 MAPT (0.77) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL1421774 0.80 ABCG2 (0.61) MAPTNPC1RAB9AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003097004-A1 WHITENING COMPOSITIONS COMPRISING MELANIN BIOSYNTHESIS INHIBITING COMPOUNDS KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2003-11-27 WO disclosed