Sugi Predict

Sugi Predict / Compounds / SCHEMBL806980

SCHEMBL806980

SCHEMBL806980

CCCCCC[C@H](OC1C(OC(=O)c2ccccc2)[C@H](OCC(O[C@@H]2OC(C)[C@@H](O)C(O)C2O)C(C)CCC(=O)NCc2cn(CCn3ccc4cc([N+](=O)[O-])ccc43)nn2)OC(CO)[C@@H]1O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 9/20 0.44
▸ SELE P16581 7/20 0.40
▸ ADAMTS5 Q9UNA0 2/20 0.31
▸ ADAMTS4 O75173 1/20 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
SCHEMBL10053344 0.93 SELE (0.46) SELPSELEADAMTS5ADAMTS4
SCHEMBL806993 0.90 SELE (0.49) SELPSELE
SCHEMBL10053380 0.88 SELP (0.41) SELPSELE
SCHEMBL806882 0.87 SELE (0.51) SELPSELE
SCHEMBL10053373 0.85 SELE (0.51) SELPSELE
SCHEMBL806982 0.83 SELE (0.48) SELPSELE
SCHEMBL10053342 0.81 SELE (0.49) SELPSELE
SCHEMBL10053345 0.81 SELE (0.52) SELPSELE
SCHEMBL806989 0.80 SELE (0.45) SELPSELE
SCHEMBL10053341 0.80 SELE (0.51) SELPSELE

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
WO-2012037034-A1 E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2012-03-22 — — WO disclosed
Send feedback