SCHEMBL12736472

SCHEMBL12736472

COc1ccc(-c2ccc(Oc3c(S(=O)(=O)O)cc(-c4ccc(C)cc4)cc3S(=O)(=O)O)cc2)cc1S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 1/20 0.40
▸ ALKBH3 Q96Q83 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALPL P05186 1/20 0.38
▸ AR P10275 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CDC25A P30304 1/20 0.37
▸ CDC25B P30305 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ PTGS1 P23219 1/20 0.36

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
SCHEMBL12736416 0.86 HTT (0.50) ACLYALKBH3KMT2AGAAMEN1
SCHEMBL12736465 0.85 ALKBH3 (0.47) ACLYALKBH3KMT2AMEN1AR
SCHEMBL10138722 0.84 SMN1; SMN2 (0.47) KMT2AGAAMEN1ARMAPT
SCHEMBL24598729 0.83 POLB (0.46) KMT2AMEN1ARMAPTHTT
SCHEMBL12736446 0.83 SMN1; SMN2 (0.44) ACLYKMT2AGAAMEN1AR
SCHEMBL12736430 0.82 ALDH1A1 (0.45) ACLYKMT2AGAAMEN1MAPT
SCHEMBL24977924 0.81 SMN1; SMN2 (0.45) KMT2AGAAMEN1ARMAPT
SCHEMBL13297294 0.81 TSHR (0.46) ACLYKMT2AGAAUSP2MEN1
SCHEMBL17169232 0.81 HTT (0.50) KMT2AGAAMEN1MAPTHTT
SCHEMBL17172538 0.81 POLB (0.44) KMT2AGAAUSP2MEN1AR

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-20110081597-A1 POLYMER ELECTROLYTE, CROSSLINKED POLYMER ELECTROLYTE, POLYMER ELECTROLYTE MEMBRANE AND USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-07 — — US disclosed
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