SCHEMBL7028496

SCHEMBL7028496

COc1ccc(CO[C@H]2[C@@H](OC(=O)CCC(C)=O)[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O[C@@H](Sc3ccc(C)cc3)[C@@H]2OC(=O)CCl)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FGF2 P09038 1/20 0.36
MDK P21741 1/20 0.36
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
CA5A P35218 2/20 0.31
CA7 P43166 2/20 0.31
CA5B Q9Y2D0 2/20 0.31

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
SCHEMBL7031768 0.93 FGF2 (0.41) FGF2MDKCA12CA1CA2
SCHEMBL7031072 0.91 FGF2 (0.34) FGF2MDK
SCHEMBL7027238 0.89 FGF2 (0.38) FGF2MDK
SCHEMBL7026185 0.81 NT5E (0.43) FGF2MDK
SCHEMBL7026503 0.81 LGALS3 (0.38)
SCHEMBL7026186 0.81 FGF2 (0.33) FGF2MDK
SCHEMBL7027702 0.79 FGF2 (0.40) FGF2MDKCA12CA1CA2
SCHEMBL7149763 0.79 NT5E (0.37) FGF2MDK
SCHEMBL7031741 0.78 LGALS3 (0.38) CA12CA1CA2CA4CA5A
SCHEMBL7024119 0.78 NT5E (0.43) FGF2MDK

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