SCHEMBL19982580

SCHEMBL19982580

CCOC1=CC2(CCOC1SCc1cc(F)ccc1OCl)OCC(CO)O2

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 2/20 0.32
SLC5A2 P31639 2/20 0.32

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
SCHEMBL19982605 0.94 SLC5A1 (0.35) SLC5A1SLC5A2
SCHEMBL19982576 0.68
SCHEMBL19982603 0.67 SLC5A1 (0.33) SLC5A1SLC5A2
SCHEMBL19982456 0.65 TLR4 (0.39) SLC5A1SLC5A2
SCHEMBL19982454 0.65 TLR4 (0.39) SLC5A1SLC5A2
SCHEMBL19982442 0.62 CYP1A2 (0.31)
SCHEMBL19970531 0.61 ALDH1A1 (0.33) SLC5A1SLC5A2
SCHEMBL19982510 0.61 SLC5A1 (0.35) SLC5A1SLC5A2
SCHEMBL19982407 0.57 MAPT (0.36)
SCHEMBL16429533 0.54 MAPK14 (0.47)

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