SCHEMBL2311027

SCHEMBL2311027

C=CCO[C@H]1[C@H](OCc2ccccc2)[C@@H](CO)O[C@@H](OCc2ccccc2)[C@@H]1N1C(=O)c2ccccc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 2/20 0.45
▸ SLC6A2 P23975 1/20 0.39
▸ TACR2 P21452 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ ALOX15 P16050 1/20 0.35
▸ PTPN1 P18031 5/20 0.35
▸ CDC25B P30305 5/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NT5E P21589 1/20 0.35
▸ LGALS1 P09382 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ PTPN2 P17706 2/20 0.34
▸ PTPN6 P29350 2/20 0.34
▸ PTPN11 Q06124 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL2312267 0.92 LGALS3 (0.50) LGALS3SLC6A2TACR2BCHEPTPN1
SCHEMBL2311035 0.89 NT5E (0.44) LGALS3BCHEPTPN1CDC25BMAPK1
SCHEMBL2309951 0.85 NT5E (0.35) LGALS3BCHEALOX15PTPN1CDC25B
SCHEMBL2309948 0.85 NT5E (0.35) LGALS3BCHEALOX15PTPN1CDC25B
SCHEMBL9853879 0.82 SLC6A2 (0.47) SLC6A2TACR2BCHEPTPN1CDC25B
SCHEMBL9853878 0.82 SLC6A2 (0.47) SLC6A2TACR2BCHEPTPN1CDC25B
SCHEMBL2312270 0.80 NT5E (0.49) TACR2PTPN1CDC25BMAPK1NT5E
SCHEMBL2314117 0.80 TYMP (0.39) LGALS3SLC6A2NT5E
SCHEMBL6553208 0.80 LGALS3 (0.46) LGALS3SLC6A2TACR2BCHEALDH1A1
SCHEMBL9332545 0.79 LGALS3 (0.52) LGALS3SLC6A2PTPN1LGALS1

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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