SCHEMBL17859637

SCHEMBL17859637

C[S+]([O-])CCOCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
NAAA Q02083 2/20 0.41
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LTA4H P09960 1/20 0.39
IDO1 P14902 1/20 0.39
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
AGXT P21549 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
LYPLA1 O75608 1/20 0.37
LYPLA2 O95372 1/20 0.37

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
SCHEMBL16782015 0.91 TSHR (0.50) TSHRL3MBTL1TDP1NAAAHRH4
SCHEMBL16782014 0.91 TSHR (0.50) TSHRL3MBTL1TDP1NAAAHRH4
SCHEMBL16782139 0.91 TSHR (0.50) TSHRL3MBTL1TDP1NAAAHRH4
SCHEMBL6868253 0.77 ALDH1A1 (0.44) TDP1ALDH1A1IDO1SMN1; SMN2
SCHEMBL2640223 0.77 TSHR (0.70) TSHRL3MBTL1TDP1NAAAHRH4
SCHEMBL8621469 0.77 TSHR (0.70) TSHRL3MBTL1TDP1NAAAHRH4
SCHEMBL1991359 0.76 TSHR (0.78) TSHRL3MBTL1TDP1NAAAHRH4
SCHEMBL9011715 0.74 TSHR (0.67) TSHRL3MBTL1TDP1NAAAHRH4
SCHEMBL9011624 0.74 TSHR (0.67) TSHRL3MBTL1TDP1NAAAHRH4
SCHEMBL9011734 0.74 TSHR (0.67) TSHRL3MBTL1TDP1NAAAHRH4

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
WO-2016098054-A1 PROCESSES FOR PREPARING OXATHIAZIN-LIKE COMPOUNDS GEISTLICH PHARMA AG (CH) 2016-06-23 WO disclosed