SCHEMBL8282675

SCHEMBL8282675

CCOc1ccccc1BO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.50
▸ L3MBTL1 Q9Y468 5/20 0.48
▸ GLA P06280 1/20 0.48
▸ ALOX15 P16050 1/20 0.46
▸ MAPT P10636 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HCRTR1 O43613 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATM Q13315 1/20 0.40

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
SCHEMBL16437062 0.77 L3MBTL1 (0.55) ALDH1A1L3MBTL1GLAALOX15MAPT
1,2-Diethoxybenzene SCHEMBL29428929 0.77 ALDH1A1 (0.68) ALDH1A1L3MBTL1GLAALOX15MAPT
1,2-Diethoxybenzene SCHEMBL578986 0.77 ALDH1A1 (0.68) ALDH1A1L3MBTL1GLAALOX15MAPT
SCHEMBL12514658 0.76 HTT (0.54) ALDH1A1MAPTGAAHSD17B10TDP1
SCHEMBL12662425 0.76 CA1 (0.55) ALDH1A1L3MBTL1ALOX15MAPTHPGD
1,2-Diethoxybenzene SCHEMBL28608089 0.73 L3MBTL1 (0.61) ALDH1A1L3MBTL1GLAALOX15MAPT
1-Hydroxy-2-Ethoxybenzene SCHEMBL28519 0.71 GAA (0.64) ALDH1A1L3MBTL1GLAMAPTNPSR1
1-Hydroxy-2-Ethoxybenzene SCHEMBL29579232 0.71 GAA (0.64) ALDH1A1L3MBTL1GLAMAPTNPSR1
SCHEMBL10638286 0.71 L3MBTL1 (0.59) ALDH1A1L3MBTL1GLAALOX15MAPT
1-Hydroxy-2-Ethoxybenzene SCHEMBL28239475 0.71 GAA (0.64) ALDH1A1L3MBTL1GLAMAPTNPSR1

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-2005070916-A1 THIOPHENE AND FURAN COMPOUNDS ELI LILLY AND COMPANY (US) 2005-08-04 — — WO disclosed
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