SCHEMBL14545945

SCHEMBL14545945

CCC(C)(CC)Oc1ccc(C(c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C(C)(CC)CC)c(S(=O)(=O)O)c4)cc3S(=O)(=O)O)cc2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ SLC6A3 Q01959 2/20 0.34
▸ PTPN1 P18031 1/20 0.32
▸ MMP2 P08253 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ DUSP3 P51452 1/20 0.31
▸ PTPN5 P54829 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CTDSP1 Q9GZU7 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.30
▸ SLC6A2 P23975 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
SCHEMBL10296813 0.93 HSD11B1 (0.34) HSD11B1SLC6A4SLC6A3PTPN1MMP2
SCHEMBL14545946 0.93 HSD11B1 (0.34) HSD11B1SLC6A4SLC6A3PTPN1MMP2
SCHEMBL13818318 0.92 HSD11B1 (0.35) HSD11B1SLC6A4SLC6A3PTPN1KDM4E
SCHEMBL13181478 0.90 HSD11B1 (0.33) HSD11B1
SCHEMBL13919843 0.85 SCN9A (0.31) SCN9A
SCHEMBL14557897 0.85 HSD11B1 (0.31) HSD11B1
SCHEMBL13181470 0.84 POLB (0.34) SLC6A4SLC6A3PTPN1KDM4EALDH1A1
SCHEMBL13181479 0.83 CASP1 (0.35) SLC6A4SLC6A3PTPN1KDM4EALDH1A1
SCHEMBL14557994 0.83 ELANE (0.38) HSD11B1ALDH1A1POLBMAPTL3MBTL1
SCHEMBL14557902 0.83 POLB (0.32) SLC6A4SLC6A3KDM4EALDH1A1POLB

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-20070083010-A1 aromatic polyether with sulfonic acid-functional block and acid-free blocks; polyether sulfones; polymer electrolyte fuel cells SUMITOMO CHEMICAL COMPANY, LIMITED 2007-04-12 — — US disclosed
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