SCHEMBL7774644

SCHEMBL7774644

O[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@@H]1O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.50
▸ NT5E P21589 1/20 0.49
▸ GJB2 P29033 1/20 0.48
▸ TACR2 P21452 3/20 0.47
▸ PDE4D Q08499 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ SSTR1 P30872 1/20 0.46
▸ SSTR2 P30874 1/20 0.46
▸ SSTR4 P31391 1/20 0.46
▸ SSTR3 P32745 1/20 0.46
▸ SSTR5 P35346 1/20 0.46
▸ PTPN1 P18031 6/20 0.44
▸ CDC25B P30305 6/20 0.44
▸ PTPN2 P17706 2/20 0.44
▸ PTPN6 P29350 2/20 0.44
▸ PTPN11 Q06124 2/20 0.44
▸ BCHE P06276 1/20 0.44
▸ ACHE P22303 1/20 0.44

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
SCHEMBL12128006 1.00 HTR1A (0.50) HTR1ANT5EGJB2TACR2PDE4D
SCHEMBL9009836 1.00 HTR1A (0.50) HTR1ANT5EGJB2TACR2PDE4D
SCHEMBL2486046 1.00 HTR1A (0.50) HTR1ANT5EGJB2TACR2PDE4D
SCHEMBL7774640 1.00 HTR1A (0.50) HTR1ANT5EGJB2TACR2PDE4D
SCHEMBL13430417 0.96 GJB2 (0.52) HTR1ANT5EGJB2TACR2PDE4D
SCHEMBL10778287 0.96 GJB2 (0.52) HTR1ANT5EGJB2TACR2PDE4D
SCHEMBL10778279 0.96 GJB2 (0.52) HTR1ANT5EGJB2TACR2PDE4D
SCHEMBL5473075 0.96 GJB2 (0.52) HTR1ANT5EGJB2TACR2PDE4D
SCHEMBL13430414 0.96 GJB2 (0.52) HTR1ANT5EGJB2TACR2PDE4D
SCHEMBL5473070 0.96 GJB2 (0.52) HTR1ANT5EGJB2TACR2PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1119577-A2 SYNTHESIS OF OLIGOSACCHARIDES, REAGENTS AND METHODS RELATED THERETO MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-08-01 — — EP disclosed
WO-2000020428-A2 SYNTHESIS OF OLIGOSACCHARIDES, REAGENTS AND METHODS RELATED THERETO MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-04-13 — — WO disclosed
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