SCHEMBL9853872

SCHEMBL9853872

O[C@@H]1[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 2/20 0.58
▸ NT5E P21589 1/20 0.51
▸ PTPN1 P18031 8/20 0.51
▸ CDC25B P30305 8/20 0.51
▸ PTPN2 P17706 4/20 0.51
▸ PTPN6 P29350 4/20 0.51
▸ PTPN11 Q06124 4/20 0.51
▸ GJA1 P17302 1/20 0.49
▸ TACR2 P21452 1/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ SLC6A2 P23975 1/20 0.47

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
SCHEMBL9853868 1.00 GJB2 (0.58) GJB2NT5EPTPN1CDC25BPTPN2
SCHEMBL6809787 1.00 GJB2 (0.58) GJB2NT5EPTPN1CDC25BPTPN2
SCHEMBL14414817 0.93 GJB2 (0.56) GJB2NT5EPTPN1CDC25BPTPN2
SCHEMBL5466098 0.93 GJB2 (0.56) GJB2NT5EPTPN1CDC25BPTPN2
SCHEMBL24479039 0.92 SLC6A2 (0.53) GJB2NT5EPTPN1CDC25BPTPN2
SCHEMBL10865849 0.92 SLC6A2 (0.53) GJB2NT5EPTPN1CDC25BPTPN2
SCHEMBL18671703 0.91 SSTR1 (0.58) GJB2NT5EPTPN1CDC25BPTPN2
SCHEMBL10609599 0.91 SSTR1 (0.58) GJB2NT5EPTPN1CDC25BPTPN2
SCHEMBL22858228 0.91 SSTR1 (0.58) GJB2NT5EPTPN1CDC25BPTPN2
SCHEMBL22659920 0.91 SSTR1 (0.58) GJB2NT5EPTPN1CDC25BPTPN2

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-0416396-A2 Tetrasaccharides and process for their preparation MERCK PATENT GmbH (DE) 1991-03-13 — — EP disclosed
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