SCHEMBL7027702

SCHEMBL7027702

COc1ccc(CO[C@H]2[C@@H](OC(=O)CCC(C)=O)[C@@H](CO)O[C@@H](Sc3ccc(C)cc3)[C@@H]2OC(=O)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGF2 P09038 1/20 0.40
MDK P21741 1/20 0.40
LGALS3 P17931 6/20 0.40
LGALS9 O00182 4/20 0.40
LGALS1 P09382 4/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
LGALS7; LGALS7B P47929 3/20 0.39
LGALS8 O00214 2/20 0.38
LGALS4 P56470 1/20 0.34
PTPN1 P18031 5/20 0.34
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 1/20 0.34
TACR2 P21452 1/20 0.33
GAPDH P04406 1/20 0.32

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
SCHEMBL7024119 0.88 NT5E (0.43) FGF2MDKPTPN1TACR2
SCHEMBL7031768 0.87 FGF2 (0.41) FGF2MDKLGALS3LGALS9LGALS1
SCHEMBL7020912 0.86 FGF2 (0.37) FGF2MDKLGALS3CA12CA1
SCHEMBL7025800 0.84 NT5E (0.44) FGF2MDKLGALS3LGALS9LGALS1
SCHEMBL22500214 0.83 LGALS3 (0.49) LGALS3LGALS9LGALS1CA12CA1
SCHEMBL5899337 0.80 LGALS3 (0.56) LGALS3LGALS9LGALS1CA12CA1
SCHEMBL19674473 0.80 LGALS3 (0.58) LGALS3LGALS9LGALS1CA12CA1
SCHEMBL19674440 0.80 LGALS3 (0.58) LGALS3LGALS9LGALS1CA12CA1
SCHEMBL7028496 0.79 FGF2 (0.36) FGF2MDKCA12CA1CA2
SCHEMBL3659771 0.78 LGALS9 (0.53) LGALS3LGALS9LGALS1CA12CA1

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-6538117-B1 Linear sequence of three or more glycosyl units linked to one another by glycosidic linkages; database of reactivity values for glycosyl donors THE SCRIPPS RESEARCH INSTITUTE 2003-03-25 US disclosed