SCHEMBL4848809

SCHEMBL4848809

COc1ccc(S(OS(=O)(=O)C(F)(F)F)(c2ccc(F)cc2)c2ccc(F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD11B1 P28845 1/20 0.46
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
TAS2R14 Q9NYV8 1/20 0.43
STAT3 P40763 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
NFE2L2 Q16236 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
RORC P51449 1/20 0.41
PTGS2 P35354 1/20 0.40
GAA P10253 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL454993 0.94 PKM (0.52) PKMALDH1A1HSD11B1PTGS2GAA
SCHEMBL36493 0.89 PKM (0.47) PKMALDH1A1HSD11B1NFE2L2SMN1; SMN2
SCHEMBL3143634 0.89 PKM (0.47) PKMALDH1A1HSD11B1NFE2L2SMN1; SMN2
SCHEMBL503330 0.88 HSD11B1 (0.42) PKMALDH1A1HSD11B1FFAR4CA1
SCHEMBL4858460 0.86 PKM (0.58) PKMALDH1A1HSD11B1TAS2R14GAA
SCHEMBL8497205 0.85 HSD11B1 (0.47) PKMALDH1A1HSD11B1SMN1; SMN2RORC
SCHEMBL9135546 0.84 ACHE (0.46) ALDH1A1HSD11B1EGFRERBB2TAS2R14
SCHEMBL3130157 0.83 PKM (0.46) PKMALDH1A1HSD11B1FFAR4NFE2L2
SCHEMBL503373 0.83 PKM (0.46) PKMALDH1A1HSD11B1FFAR4NFE2L2
SCHEMBL2960247 0.82 PKM (0.50) PKMALDH1A1EGFRERBB2TAS2R14

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
US-7323284-B2 Negative type radiation sensitive resin composition JSR CORPORATION (JP) 2008-01-29 US disclosed
US-20030022095-A1 Negative type radiation sensitive resin composition JSR CORPORATION (JP) 2003-01-30 US disclosed