SCHEMBL12780732

SCHEMBL12780732

O=S(=O)(O)c1cc(S(=O)(=O)c2ccc(Oc3ccc(C(c4ccc(O)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)ccc1Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ HSD11B1 P28845 5/20 0.41
▸ ELANE P08246 2/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ PKM P14618 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ POLB P06746 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MMP2 P08253 2/20 0.33
▸ MMP9 P14780 2/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ ABCC9 O60706 1/20 0.33

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
SCHEMBL12780767 0.95 HSD11B1 (0.40) ESR1ESR2HSD11B1ELANEPTPN1
SCHEMBL12558334 0.90 HSD11B1 (0.54) HSD11B1PTPN1PKMGAAPOLB
SCHEMBL13818318 0.87 HSD11B1 (0.35) ESR1ESR2HSD11B1ELANEPTPN1
SCHEMBL16281209 0.85 HSD11B1 (0.54) HSD11B1PKMGAAPOLBL3MBTL1
SCHEMBL14288322 0.85 ESR1 (0.56) ESR1ESR2HSD11B1ELANEPTPN1
SCHEMBL12736452 0.85 HSD11B1 (0.51) HSD11B1PTPN1PKMGAAL3MBTL1
SCHEMBL12780726 0.84 PKM (0.45) ESR1ESR2ELANEPTPN1PKM
SCHEMBL17169216 0.84 HSD11B1 (0.46) HSD11B1POLBL3MBTL1ALDH1A1TSHR
SCHEMBL17172537 0.84 HSD11B1 (0.44) HSD11B1PTPN1PKMPOLBL3MBTL1
SCHEMBL12736439 0.83 HSD11B1 (0.44) HSD11B1PTPN1PKMPOLBL3MBTL1

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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