SCHEMBL6280745

SCHEMBL6280745

O=S(=O)(c1ccc(OCc2ccc(O)cc2)cc1)c1ccc(OCc2ccc(O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.59
▸ APP P05067 2/20 0.59
▸ PKM P14618 1/20 0.59
▸ LMNA P02545 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ PTGS1 P23219 1/20 0.58
▸ SLC6A2 P23975 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ PTGS2 P35354 1/20 0.58
▸ SLC6A3 Q01959 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ HDAC6 Q9UBN7 1/20 0.58
▸ PTPRZ1 P23471 1/20 0.57
▸ CA12 O43570 4/20 0.54
▸ CA1 P00915 4/20 0.54
▸ CA2 P00918 4/20 0.54
▸ CA7 P43166 4/20 0.54
▸ CA9 Q16790 4/20 0.54
▸ ALDH1A1 P00352 1/20 0.53
▸ CA4 P22748 1/20 0.53

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
SCHEMBL51564 1.00 GAA (0.59) GAAAPPPKMLMNACYP1A2
SCHEMBL416484 0.92 NR4A2 (0.56) GAAAPPPKMLMNACYP1A2
SCHEMBL7753235 0.92 PKM (0.75) GAAAPPPKMPTPRZ1ALDH1A1
SCHEMBL420238 0.92 MAOB (0.56) GAAAPPPKMLMNACYP1A2
SCHEMBL419556 0.91 LMNA (0.73) GAAPKMLMNACYP1A2PTGS1
SCHEMBL10709540 0.88 RXRA (0.59) GAAAPPPKMLMNACYP1A2
SCHEMBL11009256 0.87 LMNA (0.67) GAAPKMLMNACYP1A2PTGS1
SCHEMBL51406 0.86 LMNA (0.56) GAAPKMLMNACYP1A2PTGS1
SCHEMBL1793890 0.85 PKM (0.63) GAAPKMLMNACA12CA1
SCHEMBL1793666 0.85 PKM (0.63) GAAPKMLMNACYP1A2PTGS1

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
JP-2005041021-A DOUBLE-SIDED RECORDING MEDIUM MITSUBISHI PAPER MILLS LTD 2005-02-17 — — JP disclosed
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