SCHEMBL9801115

SCHEMBL9801115

C=CCOC[C@H]1O[C@H](OCC=C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.54
PTPN1 P18031 10/20 0.43
CDC25B P30305 8/20 0.43
PTPN2 P17706 5/20 0.43
PTPN11 Q06124 5/20 0.43
PTPN6 P29350 4/20 0.43
SSTR1 P30872 1/20 0.42
SSTR2 P30874 1/20 0.42
SSTR4 P31391 1/20 0.42
SSTR3 P32745 1/20 0.42
SSTR5 P35346 1/20 0.42
TACR2 P21452 1/20 0.39
TACR1 P25103 1/20 0.38

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
SCHEMBL9801108 0.90 NT5E (0.46) NT5EPTPN1CDC25BTACR2
SCHEMBL9800987 0.89 NT5E (0.46) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL23603945 0.88 NT5E (0.55) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL23603946 0.88 NT5E (0.55) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL9800968 0.88 NT5E (0.48) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL181078 0.87 SSTR1 (0.52) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL16581478 0.87 SSTR1 (0.52) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL23603602 0.85 NT5E (0.51) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL27380122 0.84 NT5E (0.46) NT5EPTPN1PTPN2PTPN11TACR2
SCHEMBL976473 0.84 NT5E (0.51) NT5EPTPN1CDC25BPTPN2PTPN11

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