SCHEMBL9800967

SCHEMBL9800967

C=CCO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OCC=C)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR1 P30872 6/20 0.42
SSTR2 P30874 6/20 0.42
SSTR4 P31391 6/20 0.42
SSTR3 P32745 6/20 0.42
SSTR5 P35346 6/20 0.42
NT5E P21589 1/20 0.39
PTPN1 P18031 6/20 0.38
CDC25B P30305 6/20 0.38
PTPN2 P17706 2/20 0.38
PTPN6 P29350 2/20 0.38
PTPN11 Q06124 2/20 0.38
ADRB2 P07550 1/20 0.37
TACR1 P25103 1/20 0.37
BCHE P06276 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL7901248 0.99 SSTR1 (0.43) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL16581497 0.99 SSTR1 (0.43) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL11514915 0.94 SSTR1 (0.42) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL11511613 0.94 SSTR1 (0.42) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL9800966 0.89 SLC6A2 (0.41) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL23742905 0.89 SSTR1 (0.48) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL30105333 0.89 SSTR1 (0.48) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL990871 0.89 SSTR1 (0.48) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL990872 0.89 SSTR1 (0.48) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL9800968 0.88 NT5E (0.48) 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
US-4987223-A INTERMEDIATES FOR GLYCOSIDE ENZYME SUBSTRATES CHOAY S.A. (FR) 1991-01-22 US disclosed