Sugi Predict

Sugi Predict / Compounds / SCHEMBL807222

SCHEMBL807222

SCHEMBL807222

CC1CC(C(=O)NCCCc2cn(Cn3ccc4cc([N+](=O)[O-])ccc43)nn2)C[C@@H](O[C@@H]2OC(CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O)C2OC(=O)c2ccccc2)C1O[C@@H]1OC(C)[C@@H](O)C(O)C1O

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 18/20 0.57
▸ SELP P16109 2/20 0.40

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
SCHEMBL16378239 1.00 SELE (0.57) SELESELP
SCHEMBL16378221 0.99 SELE (0.56) SELESELP
SCHEMBL806873 0.99 SELE (0.56) SELESELP
SCHEMBL16378222 0.97 SELE (0.54) SELESELP
SCHEMBL806638 0.97 SELE (0.54) SELESELP
SCHEMBL806985 0.96 SELE (0.60) SELESELP
SCHEMBL16378224 0.96 SELE (0.60) SELESELP
SCHEMBL806979 0.96 SELE (0.60) SELESELP
SCHEMBL16378326 0.96 SELE (0.59) SELESELP
SCHEMBL16378220 0.96 SELE (0.60) SELESELP

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