SCHEMBL28331237

SCHEMBL28331237

CCOc1cccc[n+]1OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
ALDH1A1 P00352 2/20 0.35
LTA4H P09960 1/20 0.35
NQO1 P15559 1/20 0.34
RELA Q04206 1/20 0.32
L3MBTL1 Q9Y468 4/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GLA P06280 1/20 0.32
APP P05067 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL2358688 0.86 GABRG2 (0.39) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL2402517 0.77 APP (0.34) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL2327075 0.75 NPC1 (0.39) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL10266294 0.75 HDAC8 (0.41) ALDH1A1LTA4HNQO1RELAL3MBTL1
Iodide SCHEMBL28265270 0.73 GAA (0.42) ALDH1A1LTA4HNQO1RELAMAPT
SCHEMBL9618880 0.73 LMNA (0.39) ALDH1A1LTA4HNQO1RELAL3MBTL1
SCHEMBL11430745 0.73 KDM4E (0.37) ALDH1A1LTA4HNQO1RELAL3MBTL1
Hydrochloric Acid SCHEMBL663764 0.73 HDAC8 (0.40) ALDH1A1LTA4HNQO1RELAL3MBTL1
Bromide SCHEMBL9623049 0.73 NPC1 (0.42) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL2330158 0.73 APP (0.32) GABRG2GABRB3GABRA5GABRA3GABRA2

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-110389502-A Electrophotography component, handle box and electronic photographing device 佳能株式会社 2019-10-29 CN disclosed