SCHEMBL14545946

SCHEMBL14545946

CCC(C)(CC)Oc1ccc(C(c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C(C)(C)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 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ CASP1 P29466 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ RRM1 P23921 1/20 0.32
▸ POLB P06746 2/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ KDM4E B2RXH2 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

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
SCHEMBL14545945 0.93 HSD11B1 (0.34) HSD11B1SLC6A4SLC6A3CASP1ALDH1A1
SCHEMBL13181479 0.91 CASP1 (0.35) SLC6A4SLC6A3CASP1ALDH1A1PTPN1
SCHEMBL10296813 0.85 HSD11B1 (0.34) HSD11B1SLC6A4SLC6A3CASP1ALDH1A1
SCHEMBL14557898 0.85 CASP1 (0.38) HSD11B1SLC6A4SLC6A3CASP1ALDH1A1
SCHEMBL13918723 0.84 — —
SCHEMBL13818318 0.84 HSD11B1 (0.35) HSD11B1SLC6A4SLC6A3CASP1ALDH1A1
SCHEMBL14546136 0.84 CASP1 (0.36) SLC6A4SLC6A3CASP1ALDH1A1PTPN1
SCHEMBL12807621 0.83 RRM1 (0.34) HSD11B1SLC6A4SLC6A3CASP1ALDH1A1
SCHEMBL13181478 0.82 HSD11B1 (0.33) HSD11B1
SCHEMBL12807717 0.81 HSD11B1 (0.36) HSD11B1SLC6A4SLC6A3CASP1ALDH1A1

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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