SCHEMBL7458038

SCHEMBL7458038

COc1ccc(CO[C@@H]2C(Sc3ccccc3)O[C@@H](C)[C@H]3OC(C)(C)O[C@H]32)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LTA4H P09960 1/20 0.33
GLA P06280 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SLC5A1 P13866 1/20 0.31
SLC5A2 P31639 1/20 0.31
ABCB1 P08183 1/20 0.31
FABP7 O15540 1/20 0.30
FABP5 Q01469 1/20 0.30
IDO1 P14902 1/20 0.30
AGXT P21549 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
SCHEMBL582951 0.91 MEN1 (0.32) MEN1KMT2A
SCHEMBL583131 0.89 TACR1 (0.34) TACR1MEN1KMT2A
SCHEMBL8015808 0.86 GJB2 (0.36) TACR1MEN1KMT2ATDP1L3MBTL1
SCHEMBL9189422 0.86 MEN1 (0.38) TACR1MEN1KMT2AGLANPSR1
SCHEMBL4274371 0.84 GSTP1 (0.40)
SCHEMBL13657214 0.84 GSTP1 (0.40)
SCHEMBL8469404 0.82 LTA4H (0.40) TACR1MEN1KMT2ALTA4HTDP1
SCHEMBL3857852 0.81 LTA4H (0.47) TACR1MEN1KMT2ALTA4HGLA
SCHEMBL7452769 0.81 SLC5A2 (0.40) TACR1LTA4HTDP1L3MBTL1SLC5A1
SCHEMBL7552425 0.81 SLC5A2 (0.40) TACR1LTA4HTDP1L3MBTL1SLC5A1

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 7 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-0901629-A4 CARBOHYDRATE-BASED LIGAND LIBRARY, ASSAY AND METHOD UNIV PRINCETON (US) 2000-02-02 EP disclosed
EP-0910568-A1 SULFINYL HEXOSE DERIVATIVES USEFUL FOR GLYCOSYLATION PRINCETON UNIVERSITY (US) 1999-04-28 EP disclosed
EP-0901629-A1 CARBOHYDRATE-BASED LIGAND LIBRARY, ASSAY AND METHOD PRINCETON UNIVERSITY (US) 1999-03-17 EP disclosed
WO-1997035202-A1 CARBOHYDRATE-BASED LIGAND LIBRARY, ASSAY AND METHOD PRINCETON UNIVERSITY (US) 1997-09-25 WO disclosed
WO-1997034906-A1 SULFINYL HEXOSE DERIVATIVES USEFUL FOR GLYCOSYLATION PRINCETON UNIVERSITY (US) 1997-09-25 WO disclosed