SCHEMBL12780798

SCHEMBL12780798

COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(O)cc4)cc3)c(S(=O)(=O)O)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 3/20 0.58
▸ GAA P10253 1/20 0.58
▸ TSHR P16473 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ESR2 Q92731 1/20 0.46
▸ MMP2 P08253 6/20 0.44
▸ MMP9 P14780 6/20 0.44
▸ MMP12 P39900 6/20 0.44
▸ MMP3 P08254 4/20 0.44
▸ MMP8 P22894 4/20 0.44
▸ MMP13 P45452 4/20 0.44
▸ MMP14 P50281 4/20 0.44
▸ MMP16 P51512 4/20 0.44
▸ MMP1 P03956 2/20 0.44
▸ LTA4H P09960 1/20 0.43
▸ ELANE P08246 1/20 0.43
▸ NR1I2 O75469 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ MEP1B Q16820 1/20 0.41
▸ HSD11B1 P28845 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
SCHEMBL12780764 0.94 PKM (0.51) PKMGAATSHRKDM4EMMP2
SCHEMBL12190621 0.94 PKM (0.50) PKMGAATSHRKDM4EMMP2
SCHEMBL12780726 0.92 PKM (0.45) PKMGAATSHRKDM4EESR2
SCHEMBL15865582 0.90 PKM (0.48) PKMGAATSHRKDM4EMMP2
SCHEMBL12736434 0.90 PKM (0.48) PKMGAATSHRKDM4EMMP2
SCHEMBL16435166 0.89 HTT (0.48) PKMGAATSHRKDM4EMMP2
SCHEMBL12091355 0.89 HTT (0.48) PKMGAATSHRKDM4EMMP2
SCHEMBL18355435 0.89 HTT (0.48) PKMGAATSHRKDM4EMMP2
SCHEMBL12449375 0.89 HTT (0.48) PKMGAATSHRKDM4EMMP2
SCHEMBL12091348 0.89 MMP2 (0.48) PKMGAATSHRKDM4EMMP2

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-20110065021-A1 Novel Sulfonic-Acid-Group-Containing Segmented Block Copolymer, Application Thereof, and Method of Manufacturing Novel Block Copolymer TOYO BOSEKI KABUSHIKI KAISHA (JP) 2011-03-17 — — US disclosed
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