SCHEMBL19982604

SCHEMBL19982604

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

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC26A6 Q9BXS9 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
SLC5A2 P31639 2/20 0.31
GBA1 P04062 1/20 0.31
CTBP2 P56545 1/20 0.30
KMT2A Q03164 1/20 0.30
TACR1 P25103 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
SCHEMBL20111185 0.79 POLB (0.36) HPGDSMN1; SMN2CYP4F2CYP4A11POLB
SCHEMBL20111175 0.79 POLB (0.36) HPGDSMN1; SMN2CYP4F2CYP4A11POLB
SCHEMBL19982523 0.78 KDM4E (0.34) HPGDSMN1; SMN2L3MBTL1ALDH1A1LMNA
SCHEMBL20111171 0.73 KMT2A (0.37) HPGDSMN1; SMN2L3MBTL1ALDH1A1LMNA
SCHEMBL20111191 0.73 KMT2A (0.37) HPGDSMN1; SMN2L3MBTL1ALDH1A1LMNA
SCHEMBL20111184 0.73 KMT2A (0.37) HPGDSMN1; SMN2L3MBTL1ALDH1A1LMNA
SCHEMBL19982455 0.72 HPGD (0.30) HPGDSMN1; SMN2
SCHEMBL20118877 0.71 KDM4E (0.31) SMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL20118879 0.71 KDM4E (0.31) SMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL18716811 0.71 KDM4E (0.31) SMN1; SMN2ALDH1A1LMNAKMT2A

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