SCHEMBL29180240

SCHEMBL29180240

Cc1ccc(S(=O)(=O)OCCOCC2CCC(C(=O)O)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 1/20 0.55
CYP2C9 P11712 1/20 0.55
TAS2R14 Q9NYV8 5/20 0.50
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
STAT3 P40763 1/20 0.40
PTGIR P43119 2/20 0.39
PTGDR Q13258 1/20 0.39
MAPT P10636 1/20 0.38
ENPP3 O14638 1/20 0.38
ENPP1 P22413 1/20 0.38
ENPP2 Q13822 1/20 0.38
VCP P55072 1/20 0.38

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
SCHEMBL28548530 0.93 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1CYP2C9TAS2R14
SCHEMBL11141747 0.89 CA12 (0.42) ALDH1A1KMT2AMEN1CYP2C9TSHR
SCHEMBL28579528 0.89 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1CYP2C9TAS2R14
SCHEMBL20501797 0.88 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1CYP2C9TAS2R14
SCHEMBL28582142 0.87 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1CYP2C9TAS2R14
SCHEMBL28582163 0.84 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1CYP2C9TAS2R14
SCHEMBL22733787 0.78 PTGIR (0.55) ALDH1A1KMT2AMEN1CYP2C9STAT3
SCHEMBL2374216 0.78 PTGIR (0.55) ALDH1A1KMT2AMEN1CYP2C9STAT3
SCHEMBL29180255 0.78 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1CYP2C9TAS2R14
SCHEMBL2374210 0.78 PTGIR (0.55) ALDH1A1KMT2AMEN1CYP2C9STAT3

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-112601743-B Flavone compounds for the treatment and prevention of hepatitis b virus diseases 豪夫迈·罗氏有限公司 2023-12-19 CN disclosed