SCHEMBL7552425

SCHEMBL7552425

COc1ccc(CO[C@@H]2C(Sc3ccccc3)O[C@@H](C)[C@@H](O)[C@H]2O)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 6/20 0.40
SLC5A1 P13866 5/20 0.40
TACR1 P25103 1/20 0.38
LTA4H P09960 1/20 0.35
SELL P14151 1/20 0.35
SELP P16109 1/20 0.35
FABP7 O15540 1/20 0.34
FABP5 Q01469 1/20 0.34
GJB2 P29033 1/20 0.34
GJA1 P17302 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
SSTR5 P35346 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LGALS3 P17931 1/20 0.33

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
SCHEMBL7555790 1.00 SLC5A2 (0.40) SLC5A2SLC5A1TACR1LTA4HSELL
SCHEMBL7452769 1.00 SLC5A2 (0.40) SLC5A2SLC5A1TACR1LTA4HSELL
SCHEMBL7997389 1.00 SLC5A2 (0.40) SLC5A2SLC5A1TACR1LTA4HSELL
SCHEMBL3166119 0.91 PDPK1 (0.38) SSTR5
SCHEMBL2682317 0.91 PDPK1 (0.38) SSTR5
SCHEMBL582806 0.88 LGALS3 (0.37) SLC5A2TACR1SELLSELPGJB2
SCHEMBL8469404 0.86 LTA4H (0.40) SLC5A2SLC5A1TACR1LTA4HFABP7
SCHEMBL8398131 0.85 SLC5A1 (0.38) SLC5A2SLC5A1TACR1SSTR5TDP1
SCHEMBL8002967 0.85 GJB2 (0.45) SLC5A2SLC5A1TACR1GJB2GJA1
SCHEMBL5691277 0.83 PDPK1 (0.38) SSTR5LGALS3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0910568-A4 SULFINYL HEXOSE DERIVATIVES USEFUL FOR GLYCOSYLATION UNIV PRINCETON (US) 2002-04-24 EP disclosed
US-6040433-A Sulfinyl hexose derivatives useful for glycosylation THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2000-03-21 US disclosed
EP-0910568-A1 SULFINYL HEXOSE DERIVATIVES USEFUL FOR GLYCOSYLATION PRINCETON UNIVERSITY (US) 1999-04-28 EP disclosed
WO-1997034906-A1 SULFINYL HEXOSE DERIVATIVES USEFUL FOR GLYCOSYLATION PRINCETON UNIVERSITY (US) 1997-09-25 WO disclosed