SCHEMBL28348378

SCHEMBL28348378

O=S(=O)(c1ccccc1)c1cccc(-c2ccccc2)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.49
HDAC4 P56524 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HTR6 P50406 6/20 0.47
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
MMP1 P03956 4/20 0.44
MMP2 P08253 4/20 0.44
MMP9 P14780 4/20 0.44
MMP8 P22894 4/20 0.44
MMP12 P39900 4/20 0.44
MMP13 P45452 4/20 0.44
MMP14 P50281 4/20 0.44
MMP16 P51512 4/20 0.44
MMP3 P08254 3/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL29700218 1.00 HNF4A (0.49) HNF4AHDAC4HDAC2HDAC8HDAC6
SCHEMBL9246392 0.91 HDAC4 (0.53) HNF4AHDAC4HDAC2HDAC8HDAC6
SCHEMBL12903976 0.85 HTR6 (0.57) HTR6POLBGAAGFERMMP1
SCHEMBL9242466 0.83 HTR6 (0.55) HTR6POLBGAAGFERMMP1
SCHEMBL8368643 0.81 HDAC4 (0.52) HNF4AHDAC4HDAC2HDAC8HDAC6
SCHEMBL1028866 0.80 POLB (0.49) HTR6POLBGAAGFERMMP1
SCHEMBL29700169 0.80 PTGS2 (0.52) HNF4AHDAC4HDAC2HDAC8HDAC6
SCHEMBL27723038 0.80 HTR6 (0.48) HTR6POLBGAAGFERMMP1
SCHEMBL9793435 0.80 HTR6 (0.48) HTR6POLBGAAGFERMMP1
SCHEMBL139251 0.79 POLB (0.55) HTR6POLBGAAGFERMMP2

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
CN-110683940-B Method for converting dibenzo [ c, e ] [1,2] oxathiane-6-oxide compound 中国科学院成都生物研究所 2022-07-01 CN disclosed
CN-110683940-A Method for converting dibenzo [ c, e ] [1,2] oxathiane-6-oxide compound 中国科学院成都生物研究所 2020-01-14 CN disclosed