SCHEMBL16986936

SCHEMBL16986936

CC(=O)O[C@@H]1[C@@H](OCc2ccccc2)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGALS9 O00182 1/20 0.37
TSHR P16473 1/20 0.37
TACR1 P25103 1/20 0.36
LMNA P02545 2/20 0.36
LGALS8 O00214 1/20 0.36
NT5E P21589 1/20 0.36
SSTR4 P31391 1/20 0.35
TP53 P04637 2/20 0.35
MDM2 Q00987 2/20 0.35
MDM4 O15151 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
TACR2 P21452 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
PTPN11 Q06124 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL16986935 1.00 LGALS9 (0.37) LGALS9TSHRTACR1LMNALGALS8
SCHEMBL12582928 0.83 TSHR (0.40) LGALS9TSHRLMNALGALS8KMT2A
SCHEMBL22677461 0.83 TACR1 (0.41) LGALS9TACR1LMNAPTPN1CDC25B
SCHEMBL22721951 0.82 SSTR1 (0.41) NT5ESSTR4PTPN2PTPN1PTPN6
SCHEMBL969725 0.82 LGALS8 (0.50) LGALS9TSHRLGALS8TACR2PTPN1
SCHEMBL969726 0.82 LGALS8 (0.50) LGALS9TSHRLGALS8TACR2PTPN1
SCHEMBL13775034 0.82 SSTR5 (0.37) LGALS8NT5ESSTR4TP53MDM2
SCHEMBL24996978 0.81 SSTR5 (0.47) TACR1LGALS8SSTR4PTPN2PTPN1
SCHEMBL244897 0.78 PTPN1 (0.42) TSHRLMNANT5EPTPN2PTPN1
SCHEMBL3155871 0.78 SSTR5 (0.47) LGALS8SSTR4PTPN2PTPN1CDC25A

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-2235030-B1 COMPOUND OF THE DISACCHARIDE TYPE COMPOSITION COMPRISING AND METHOD FOR PRODUCING SUCH A COMPOUND Université de Picardie Jules Verne (FR) 2015-08-12 EP disclosed