SCHEMBL28201478

SCHEMBL28201478

COc1ccc(-c2ccc(Cc3ccc(C)cc3)s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.56
ALOX5 P09917 3/20 0.52
MAPT P10636 3/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.46
ACHE P22303 1/20 0.46
NPC1 O15118 3/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.44
EDNRA P25101 1/20 0.43
LTA4H P09960 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL4316709 0.86 APP (0.58) APPMAPTPOLBNPC1KDM4E
SCHEMBL4310633 0.86 LTA4H (0.56) APPALOX5MAPTL3MBTL1POLB
SCHEMBL28201923 0.86 MAOB (0.48) MAPTL3MBTL1ACHENPC1KDM4E
SCHEMBL12973226 0.82 APP (0.83) APPALOX5MAPTACHENPC1
SCHEMBL27968344 0.81 TP53 (0.51) APPMAPTACHENPC1KDM4E
SCHEMBL14030856 0.78 ACHE (0.62) ALOX5MAPTMAPK1L3MBTL1ACHE
SCHEMBL19087101 0.78 ACHE (0.62) ALOX5MAPTMAPK1L3MBTL1ACHE
SCHEMBL28201931 0.78 HTT (0.38) ALOX5MAPK1NPC1KDM4EALDH1A1
SCHEMBL10331951 0.77 APP (0.68) APPMAPTNPC1KDM4EALDH1A1
SCHEMBL28992994 0.76 APP (0.61) APPMAPTNPC1KDM4EALDH1A1

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
CN-103214471-B The preparation method of compound with Na-dependent glucose transporter inhibitory activity 田边三菱制药株式会社 2018-02-06 CN disclosed