SCHEMBL19982406

SCHEMBL19982406

CCOC(=O)C1=CC2(CCC1[S+]([O-])Cc1ccccc1Cl)OC[C@H](CO)O2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 7/20 0.33
GAA P10253 3/20 0.33
LMNA P02545 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.32
CACNA1D Q01668 2/20 0.32
CACNA1F O60840 1/20 0.32
CACNA1S Q13698 1/20 0.32
CACNA1C Q13936 1/20 0.32
TP53 P04637 2/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
PGR P06401 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
MEN1 O00255 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
SCHEMBL19982407 0.82 MAPT (0.36) TSHRPOLBALDH1A1GAALMNA
SCHEMBL19982409 0.76 KDM4E (0.32) TSHRPOLBALDH1A1GAALMNA
SCHEMBL19982402 0.74 TLR4 (0.36) TSHRALDH1A1GAALMNAMAPT
SCHEMBL19982456 0.72 TLR4 (0.39) POLBLMNAMAPTTP53PGR
SCHEMBL19982454 0.72 TLR4 (0.39) POLBLMNAMAPTTP53PGR
SCHEMBL19982604 0.71 HPGD (0.33) POLBALDH1A1LMNAKMT2A
SCHEMBL1863349 0.68 TLR4 (0.62) LMNATP53KMT2A
SCHEMBL15146253 0.68 TLR4 (0.62) LMNATP53KMT2A
SCHEMBL1863586 0.68 TLR4 (0.62) LMNATP53KMT2A
SCHEMBL1872797 0.68 TLR4 (0.62) LMNATP53KMT2A

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-3296296-A1 CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-03-21 EP disclosed