SCHEMBL8725261

SCHEMBL8725261

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

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 2/20 0.56
▸ SSTR1 P30872 1/20 0.56
▸ SSTR2 P30874 1/20 0.56
▸ SSTR4 P31391 1/20 0.56
▸ SSTR3 P32745 1/20 0.56
▸ SSTR5 P35346 1/20 0.56
▸ HTR1A P08908 1/20 0.52
▸ NT5E P21589 1/20 0.48
▸ PTPN1 P18031 6/20 0.46
▸ CDC25B P30305 6/20 0.46
▸ PTPN2 P17706 2/20 0.46
▸ PTPN6 P29350 2/20 0.46
▸ PTPN11 Q06124 2/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ TACR2 P21452 2/20 0.46
▸ BCHE P06276 1/20 0.46
▸ ACHE P22303 1/20 0.46

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
SCHEMBL18482859 1.00 GJB2 (0.56) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL8723897 1.00 GJB2 (0.56) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL21657118 1.00 GJB2 (0.56) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL21013113 0.89 GJB2 (0.54) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL15973204 0.86 HTR1A (0.53) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL16632215 0.86 SSTR4 (0.61) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL16632214 0.86 SSTR4 (0.61) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL21657199 0.85 HTR1A (0.52) SSTR1SSTR2SSTR4SSTR3SSTR5
Phosphine SCHEMBL7254654 0.85 HTR1A (0.52) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL21657117 0.85 HTR1A (0.52) SSTR1SSTR2SSTR4SSTR3SSTR5

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-0832898-A2 Substituted amino acid derivatives BAYER AG (DE) 1998-04-01 — — EP disclosed
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