SCHEMBL9801108

SCHEMBL9801108

C=CCOC1O[C@H](CO)[C@@H](OC(=O)c2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.46
LGALS9 O00182 1/20 0.43
LGALS1 P09382 1/20 0.43
LGALS3 P17931 1/20 0.43
LGALS7; LGALS7B P47929 1/20 0.43
SLC6A2 P23975 1/20 0.41
SELP P16109 6/20 0.41
TACR2 P21452 1/20 0.39
SELE P16581 1/20 0.39
PTPN1 P18031 2/20 0.39
CDC25B P30305 2/20 0.39
LGALS8 O00214 1/20 0.38
MAOB P27338 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
SCHEMBL9801115 0.90 NT5E (0.54) NT5ETACR2PTPN1CDC25B
SCHEMBL2483143 0.89 LGALS3 (0.48) LGALS9LGALS1LGALS3LGALS7; LGALS7BSELP
SCHEMBL17241861 0.89 LGALS3 (0.48) LGALS9LGALS1LGALS3LGALS7; LGALS7BSELP
SCHEMBL20226186 0.89 LGALS3 (0.48) LGALS9LGALS1LGALS3LGALS7; LGALS7BSELP
SCHEMBL17241860 0.89 LGALS3 (0.48) LGALS9LGALS1LGALS3LGALS7; LGALS7BSELP
SCHEMBL9800986 0.88 SLC6A2 (0.41) NT5ESLC6A2TACR2PTPN1CDC25B
SCHEMBL6929599 0.88 SLC6A2 (0.47) SLC6A2TACR2PTPN1CDC25B
SCHEMBL181077 0.88 SLC6A2 (0.47) SLC6A2TACR2PTPN1CDC25B
SCHEMBL181126 0.88 SLC6A2 (0.47) SLC6A2TACR2PTPN1CDC25B
SCHEMBL16581477 0.88 SLC6A2 (0.47) SLC6A2TACR2PTPN1CDC25B

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