SCHEMBL28129221

SCHEMBL28129221

CC1(C)COc2ccccc21.CCS(=O)(=O)O

nearest known ligand 0.46

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
RARB P10826 3/20 0.36
RARG P13631 3/20 0.36
RARA P10276 2/20 0.36
NOTUM Q6P988 2/20 0.35
ALOX5 P09917 2/20 0.35
CHRNA7 P36544 1/20 0.34
RXRA P19793 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
KCNE1 P15382 1/20 0.33
KCNQ1 P51787 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL11449463 0.92 PTGS1 (0.38) PTGS1PTGS2RARBRARGRARA
SCHEMBL11448908 0.86 PTGS1 (0.34) PTGS1PTGS2RARBRARGRARA
SCHEMBL321566 0.84 NOTUM (0.42) PTGS1PTGS2RARBRARGRARA
SCHEMBL987764 0.72 PTGS1 (0.43) PTGS1PTGS2RARBRARGRARA
SCHEMBL5656855 0.71 RARB (0.45) PTGS1PTGS2RARBRARGRARA
SCHEMBL21658660 0.70 PTGS1 (0.43) PTGS1PTGS2POLB
SCHEMBL19852058 0.70 AKR1B1 (0.37)
SCHEMBL15108061 0.68 CNR2 (0.34) PTGS1PTGS2POLB
SCHEMBL20480546 0.68 AKR1B1 (0.38) PTGS1PTGS2CHRNA7POLB
SCHEMBL16503890 0.67 ABCG2 (0.33) NOTUM

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-103269594-B Synergistic herbicidal composition containing penoxsulam and benfuresate 陶氏益农公司 2017-03-01 CN disclosed