SCHEMBL2312267

SCHEMBL2312267

O=C1c2ccccc2C(=O)N1[C@H]1[C@H](OCc2ccccc2)O[C@H](CO)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 2/20 0.50
▸ SLC6A2 P23975 1/20 0.42
▸ TACR2 P21452 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ PTPN1 P18031 4/20 0.39
▸ CDC25B P30305 4/20 0.39
▸ NT5E P21589 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PTPN2 P17706 2/20 0.38
▸ PTPN6 P29350 2/20 0.38
▸ PTPN11 Q06124 2/20 0.38
▸ LGALS1 P09382 1/20 0.38

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
SCHEMBL2311027 0.92 LGALS3 (0.45) LGALS3SLC6A2TACR2MAPK1BCHE
SCHEMBL2312270 0.87 NT5E (0.49) TACR2MAPK1PTPN1CDC25BNT5E
SCHEMBL6553208 0.87 LGALS3 (0.46) LGALS3SLC6A2TACR2BCHECYP2C19
SCHEMBL9332545 0.86 LGALS3 (0.52) LGALS3SLC6A2PTPN1LGALS1
SCHEMBL2307547 0.86 LGALS3 (0.52) LGALS3SLC6A2PTPN1LGALS1
SCHEMBL2307564 0.86 LGALS3 (0.52) LGALS3SLC6A2PTPN1LGALS1
SCHEMBL8398761 0.84 LGALS8 (0.52) LGALS3SLC6A2BCHEPTPN1
SCHEMBL8398753 0.84 LGALS8 (0.52) LGALS3SLC6A2BCHEPTPN1
SCHEMBL2309944 0.83 NT5E (0.39) LGALS3BCHEPTPN1CDC25BNT5E
SCHEMBL2309941 0.83 NT5E (0.39) LGALS3BCHEPTPN1CDC25BNT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1232168-B1 SYNTHETIC LIPID-A ANALOGS AND USES THEREOF ONCOTHYREON INC (US) 2011-08-03 — — EP disclosed
EP-1232168-A2 SYNTHETIC LIPID-A ANALOGS AND USES THEREOF BIOMIRA, INC. (CA) 2002-08-21 — — EP disclosed
WO-2001036433-A2 SYNTHETIC LIPID-A ANALOGS AND USES THEREOF BIOMIRA, INC. (CA) 2001-05-25 — — WO disclosed
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