SCHEMBL21540974

SCHEMBL21540974

CC(C)Oc1ccc(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.51
PKM P14618 3/20 0.50
FFAR4 Q5NUL3 1/20 0.47
GCK P35557 6/20 0.46
LOX P28300 1/20 0.46
ALDH1A3 P47895 1/20 0.46
MMP2 P08253 2/20 0.44
MMP3 P08254 2/20 0.44
MMP9 P14780 2/20 0.44
MMP14 P50281 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.43
PARP10 Q53GL7 1/20 0.43
MMP1 P03956 1/20 0.42
MMP7 P09237 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
ENPP2 Q13822 1/20 0.42

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
SCHEMBL9034923 0.94 PTGS2 (0.55) PTGS2FFAR4GCKALDH1A3MMP2
SCHEMBL930312 0.92 PKM (0.58) PKMFFAR4ALDH1A3MMP2MMP3
SCHEMBL9054589 0.85 PKM (0.73) PKMFFAR4LOXALDH1A3MMP2
SCHEMBL4613497 0.85 HTR6 (0.54) PKMFFAR4ALDH1A3MMP2MMP3
SCHEMBL19557330 0.83 MAPT (0.54) PKMFFAR4ALDH1A3MMP2MMP3
SCHEMBL26268 0.83 PKM (0.65) PKMFFAR4ALDH1A3MMP2MMP3
SCHEMBL10481505 0.81 PKM (0.47) PKMFFAR4ALDH1A3MMP2MMP3
SCHEMBL24512767 0.80 HTT (0.62) PKMFFAR4GCKMMP2MMP3
SCHEMBL17146887 0.80 NR1H4 (0.50) PKMFFAR4ALDH1A3MMP2MMP3
SCHEMBL19018112 0.80 HTT (0.62) PKMFFAR4GCKMMP2MMP3

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
US-10465046-B2 Polyarylether ketone imide adhesives THE BOEING COMPANY (US) 2019-11-05 US disclosed