SCHEMBL10000762

SCHEMBL10000762

CC1(O)OC(=O)C(c2ncc(Cl)cc2Cl)=C1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.49
PTGS1 P23219 5/20 0.47
DHODH Q02127 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
PDK2 Q15119 1/20 0.34

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
SCHEMBL10000191 0.90 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL3616746 0.79 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL2458216 0.68 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL10131904 0.66 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL2356409 0.66 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL6331760 0.65 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL2348407 0.65 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL3980401 0.65 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL2350613 0.64 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL1961471 0.64 PTGS2 (0.47) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012020773-A1 PLANT DISEASE CONTROL COMPOSITION AND APPLICATION FOR SAME 住友化学株式会社 (JP) 2012-02-16 WO disclosed
WO-2012020777-A1 PLANT DISEASE CONTROL COMPOSITION AND APPLICATION FOR SAME 住友化学株式会社 (JP) 2012-02-16 WO disclosed