SCHEMBL10000191

SCHEMBL10000191

CC1(O)OC(=O)C(c2ncc(Cl)cc2Cl)=C1c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.52
PTGS1 P23219 6/20 0.52
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
NR3C2 P08235 1/20 0.38

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
SCHEMBL10000762 0.90 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL2352694 0.73 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL2354428 0.73 PTGS2 (0.61) PTGS2PTGS1NR3C1PGRNR3C2
SCHEMBL2348407 0.72 PTGS2 (0.57) PTGS2PTGS1PGR
SCHEMBL1937718 0.72 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL1961471 0.70 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL3980401 0.70 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL2350613 0.69 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL30382024 0.69 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL2356409 0.69 PTGS2 (0.58) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-2012020775-A1 PLANT DISEASE CONTROL COMPOSITION AND APPLICATION FOR SAME 住友化学株式会社 (JP) 2012-02-16 WO disclosed