SCHEMBL13818318

SCHEMBL13818318

CCC(C)(CC)c1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(c4ccc(O)cc4)(C(F)(F)F)C(F)(F)F)cc3)c(S(=O)(=O)O)c2)cc1S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 4/20 0.35
▸ ELANE P08246 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ HSD17B10 Q99714 2/20 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
▸ CTDSP1 Q9GZU7 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL10296813 0.92 HSD11B1 (0.34) HSD11B1SLC6A4SLC6A3PTPN1HSD17B10
SCHEMBL14545945 0.92 HSD11B1 (0.34) HSD11B1SLC6A4SLC6A3PTPN1HSD17B10
SCHEMBL12780732 0.87 ESR1 (0.41) HSD11B1ELANEESR1ESR2GAA
SCHEMBL12780767 0.84 HSD11B1 (0.40) HSD11B1ELANEESR1ESR2GAA
SCHEMBL13919843 0.84 SCN9A (0.31) SCN9A
SCHEMBL14545946 0.84 HSD11B1 (0.34) HSD11B1SLC6A4SLC6A3PTPN1HSD17B10
SCHEMBL13181478 0.83 HSD11B1 (0.33) HSD11B1
SCHEMBL13818319 0.80 MMP3 (0.36) PKMHSD17B10KDM4EALDH1A1POLB
SCHEMBL12558334 0.80 HSD11B1 (0.54) HSD11B1GAAPKMPTPN1KDM4E
SCHEMBL14557897 0.78 HSD11B1 (0.31) HSD11B1

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
EP-1669391-B1 BLOCK COPOLYMERS AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2009-06-03 — — EP disclosed
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