SCHEMBL12807625

SCHEMBL12807625

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

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.39
▸ 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
SCHEMBL12807706 0.91 HSD11B1 (0.31) CASP1
SCHEMBL17814755 0.84 HSD11B1 (0.30) —
SCHEMBL12807628 0.83 CASP1 (0.31) CASP1
SCHEMBL12807699 0.78 CASP1 (0.38) CASP1
SCHEMBL19359711 0.76 MEN1 (0.35) —
SCHEMBL12807709 0.76 CASP1 (0.40) RORCCASP1
SCHEMBL12807717 0.75 HSD11B1 (0.36) CASP1
SCHEMBL13918839 0.75 SCN9A (0.30) —
SCHEMBL9915250 0.74 HTT (0.37) CASP1
SCHEMBL14730304 0.74 NPC1 (0.37) CASP1

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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