SCHEMBL10778279

SCHEMBL10778279

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 2/20 0.52
▸ TACR2 P21452 3/20 0.51
▸ HTR1A P08908 1/20 0.48
▸ NT5E P21589 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ SLC6A2 P23975 2/20 0.46
▸ BCHE P06276 2/20 0.45
▸ ACHE P22303 2/20 0.45
▸ GJA1 P17302 1/20 0.44
▸ SSTR1 P30872 1/20 0.44
▸ SSTR2 P30874 1/20 0.44
▸ SSTR4 P31391 1/20 0.44
▸ SSTR3 P32745 1/20 0.44
▸ SSTR5 P35346 1/20 0.44
▸ PTPN1 P18031 2/20 0.43
▸ CDC25B P30305 2/20 0.43

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
SCHEMBL10778287 1.00 GJB2 (0.52) GJB2TACR2HTR1ANT5EPDE4D
SCHEMBL13430414 1.00 GJB2 (0.52) GJB2TACR2HTR1ANT5EPDE4D
SCHEMBL13430417 1.00 GJB2 (0.52) GJB2TACR2HTR1ANT5EPDE4D
SCHEMBL5473075 1.00 GJB2 (0.52) GJB2TACR2HTR1ANT5EPDE4D
SCHEMBL5473070 1.00 GJB2 (0.52) GJB2TACR2HTR1ANT5EPDE4D
SCHEMBL7774640 0.96 HTR1A (0.50) GJB2TACR2HTR1ANT5EPDE4D
SCHEMBL9009836 0.96 HTR1A (0.50) GJB2TACR2HTR1ANT5EPDE4D
SCHEMBL12128006 0.96 HTR1A (0.50) GJB2TACR2HTR1ANT5EPDE4D
SCHEMBL2486046 0.96 HTR1A (0.50) GJB2TACR2HTR1ANT5EPDE4D
SCHEMBL7774644 0.96 HTR1A (0.50) GJB2TACR2HTR1ANT5EPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0103877-B1 PHOSPHATE DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS OF THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-01-07 — — EP disclosed
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