SCHEMBL7115338

SCHEMBL7115338

CCC1(CC)COc2ccc(C(C)S(=O)(=O)O)cc21

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32

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
SCHEMBL987763 0.82 RARB (0.41) PTGS1PTGS2
Benfuresate SCHEMBL15634059 0.76 ACACB (0.38) PTGS1PTGS2
SCHEMBL11811521 0.64 RARB (0.43) PTGS1PTGS2
SCHEMBL11809097 0.63 RARB (0.40) PTGS1PTGS2
SCHEMBL5659590 0.62 NOTUM (0.44) PTGS1PTGS2
SCHEMBL31085141 0.62 NOTUM (0.44) PTGS1PTGS2
SCHEMBL11806318 0.62 RARB (0.39) PTGS1PTGS2
SCHEMBL5656267 0.62 PTGS1 (0.42) PTGS1PTGS2
SCHEMBL11448908 0.61 PTGS1 (0.34) PTGS1PTGS2
SCHEMBL5656270 0.61 NOTUM (0.43) PTGS1PTGS2

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
EP-1453377-A1 HERBICIDES BASED ON SUBSTITUTED CARBOXYLIC ACID ANILIDES Bayer CropScience AG (DE) 2004-09-08 EP claimed
WO-2003047346-A1 HERBICIDES BASED ON SUBSTITUTED CARBOXYLIC ACID ANILIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-06-12 WO claimed