SCHEMBL12807707

SCHEMBL12807707

CCC(C)(C)Oc1ccc(C(c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C(C)C)cc4)cc3)c(S(=O)(=O)O)c2)(C(F)(F)F)C(F)(F)F)cc1S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 5/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ CASP1 P29466 3/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ SCN9A Q15858 2/20 0.33
▸ EPAS1 Q99814 1/20 0.32
▸ CNR1 P21554 2/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ FFAR1 O14842 1/20 0.31

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
SCHEMBL14557898 0.84 CASP1 (0.38) HSD11B1PTPN1CASP1SCN9AEPAS1
SCHEMBL12807717 0.84 HSD11B1 (0.36) HSD11B1PTPN1CASP1MMP2MMP9
SCHEMBL12807706 0.81 HSD11B1 (0.31) HSD11B1CASP1
SCHEMBL12807699 0.80 CASP1 (0.38) HSD11B1PTPN1CASP1SCN9A
SCHEMBL10296813 0.79 HSD11B1 (0.34) HSD11B1PTPN1CASP1MMP2MMP9
SCHEMBL10066817 0.76 MCL1 (0.40) PTPN1CASP1CNR2CNR1FFAR1
SCHEMBL15468153 0.76 HSD11B1 (0.33) HSD11B1PTPN1
SCHEMBL14545946 0.75 HSD11B1 (0.34) HSD11B1PTPN1CASP1MMP2MMP9
SCHEMBL19322855 0.75 MAPT (0.42) SLC6A4FFAR1
SCHEMBL14545945 0.75 HSD11B1 (0.34) HSD11B1PTPN1CASP1MMP2MMP9

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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