SCHEMBL29090909

SCHEMBL29090909

COc1cc(F)cc(C=CC(C)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
HTT P42858 1/20 0.54
BACE1 P56817 2/20 0.51
NQO2 P16083 1/20 0.49
APP P05067 3/20 0.48
CYP1A1 P04798 3/20 0.47
CYP1B1 Q16678 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
HDAC1 Q13547 1/20 0.46
ABCG2 Q9UNQ0 3/20 0.46
FDPS P14324 1/20 0.43
CTSL P07711 1/20 0.43

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
SCHEMBL29728704 1.00 GAA (0.54) GAAHTTBACE1NQO2APP
SCHEMBL4821295 0.88 GAA (0.62) GAAHTTBACE1NQO2APP
SCHEMBL4821290 0.88 GAA (0.62) GAAHTTBACE1NQO2APP
SCHEMBL1340089 0.87 THRB (0.57) GAABACE1NQO2CYP1A1CYP1B1
SCHEMBL1340085 0.87 THRB (0.57) GAABACE1NQO2CYP1A1CYP1B1
SCHEMBL13653355 0.85 BACE1 (0.54) GAABACE1NQO2APPCYP1A1
SCHEMBL24622059 0.84 GLA (0.52) GAAHTTBACE1APPCYP1A2
SCHEMBL29728707 0.84 GLA (0.52) GAAHTTBACE1APPCYP1A2
SCHEMBL6361807 0.80 MAOB (0.52) GAABACE1NQO2FDPS
SCHEMBL21052088 0.76 NQO2 (0.45) GAABACE1NQO2CYP1A1CYP1B1

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-116745467-A Composition for tin or tin alloy electroplating comprising a leveling agent 巴斯夫欧洲公司 2023-09-12 CN disclosed