SCHEMBL28824909

SCHEMBL28824909

O=CC(=O)c1occ(Cl)c1Cl

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DAO P14920 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
SCHEMBL28059067 0.76
SCHEMBL3524564 0.76 DAO (0.40) ALDH1A1DAO
SCHEMBL6855145 0.74 DAO (0.32) DAO
SCHEMBL1062547 0.74 KDM4E (0.33) ALDH1A1DAO
SCHEMBL27903016 0.72
SCHEMBL27903018 0.72 ALDH1A1 (0.31) ALDH1A1MAPK1TDP1
SCHEMBL28054286 0.70 ALDH1A1 (0.37) ALDH1A1MAPK1TDP1
SCHEMBL6858030 0.69 CYP3A4 (0.33)
SCHEMBL27771525 0.67 NQO1 (0.32) ALDH1A1MAPK1TDP1
SCHEMBL28146191 0.67 ALDH1A1 (0.31) ALDH1A1MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105473558-B Aromatic yl sulfide derivative and aryl oxysulfide derivative as acaricide and insecticide 拜耳作物科学股份公司 2019-04-19 CN disclosed
CN-105473558-A Aryl sulfide derivatives and aryl sulfoxide derivatives as acaricides and insecticides BAYER CROPSCIENCE AG 2016-04-06 CN disclosed
CN-105209457-A Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE DEUTSCHLAND 2015-12-30 CN disclosed