SCHEMBL19982523

SCHEMBL19982523

CCOC(=O)C1=CC2(CCC1[S+]([O-])Cc1cccc(Cl)c1)O[C@@H](CO)[C@@]1(CC1O)O2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
MAPK1 P28482 2/20 0.33
MAPT P10636 1/20 0.33
TACR1 P25103 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
CACNA1F O60840 1/20 0.32
CACNA1D Q01668 1/20 0.32
CACNA1S Q13698 1/20 0.32
CACNA1C Q13936 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
LMNA P02545 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.31
MAOB P27338 1/20 0.31
GRM5 P41594 1/20 0.30
ALOX5 P09917 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
SCHEMBL19982604 0.78 HPGD (0.33) KMT2ATACR1L3MBTL1SMN1; SMN2LMNA
SCHEMBL19982402 0.73 TLR4 (0.36) KMT2AMEN1MAPK1MAPTL3MBTL1
SCHEMBL19982406 0.70 TSHR (0.33) KDM4EKMT2AMEN1MAPK1MAPT
SCHEMBL20111184 0.67 KMT2A (0.37) KDM4EKMT2AMEN1MAPK1MAPT
SCHEMBL20111191 0.67 KMT2A (0.37) KDM4EKMT2AMEN1MAPK1MAPT
SCHEMBL20111171 0.67 KMT2A (0.37) KDM4EKMT2AMEN1MAPK1MAPT
SCHEMBL20111175 0.58 POLB (0.36) KMT2AMEN1MAPTL3MBTL1SMN1; SMN2
SCHEMBL20111185 0.58 POLB (0.36) KMT2AMEN1MAPTL3MBTL1SMN1; SMN2
SCHEMBL20111186 0.57 LMNA (0.34) KDM4EKMT2AMEN1MAPTL3MBTL1
SCHEMBL12812401 0.57 MAPT (0.60) KMT2AMEN1MAPK1MAPTSMN1; SMN2

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