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Sugi Predict / Compounds / SCHEMBL12807706

SCHEMBL12807706

SCHEMBL12807706

CCC(C)c1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(c4ccc(OC(C)(C)CC)c(S(=O)(=O)O)c4)(C(F)(F)F)C(F)(F)F)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)cc1S(=O)(=O)O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.31
▸ CASP1 P29466 1/20 0.30

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
SCHEMBL12807625 0.91 RORC (0.39) CASP1
SCHEMBL12807717 0.83 HSD11B1 (0.36) HSD11B1CASP1
SCHEMBL12807707 0.81 HSD11B1 (0.36) HSD11B1CASP1
SCHEMBL12807628 0.80 CASP1 (0.31) CASP1
SCHEMBL13181478 0.79 HSD11B1 (0.33) HSD11B1
SCHEMBL17814755 0.77 HSD11B1 (0.30) HSD11B1
SCHEMBL14557897 0.76 HSD11B1 (0.31) HSD11B1
SCHEMBL10296813 0.75 HSD11B1 (0.34) HSD11B1CASP1
SCHEMBL14557898 0.74 CASP1 (0.38) HSD11B1CASP1
SCHEMBL12807712 0.73 MEN1 (0.34) —

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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