Sugi Predict

Sugi Predict / Compounds / SCHEMBL15434912

SCHEMBL15434912

SCHEMBL15434912

CC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(OC3CC(C(=O)NCCNC(=O)COCCO)CC(N4C=C(c5cccc(F)c5)NN4)C3OC3OC(C)C(O)C(O)C3O)C2OC(=O)c2ccccc2)(C(=O)O)OC1[C@H](O)[C@H](O)CO

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 6/20 0.43
▸ SELP P16109 2/20 0.42
▸ SELL P14151 1/20 0.42
▸ MAG P20916 9/20 0.41
▸ SIGLEC7 Q9Y286 2/20 0.38

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
SCHEMBL2959442 0.80 SELP (0.46) SELESELPSELLMAGSIGLEC7
SCHEMBL2959371 0.80 SELP (0.46) SELESELPSELLMAGSIGLEC7
SCHEMBL11962138 0.77 MAG (0.50) SELESELPSELLMAG
SCHEMBL12420062 0.75 SELE (0.48) SELESELPSELLMAGSIGLEC7
SCHEMBL15434868 0.75 SELE (0.42) SELESELPSELLMAG
SCHEMBL12257326 0.75 SELE (0.46) SELESELPSELLMAG
SCHEMBL11962144 0.74 MAG (0.53) SELESELPSELLMAG
SCHEMBL13312725 0.74 SELE (0.41) SELESELPSELLMAG
SCHEMBL15434865 0.74 SELE (0.41) SELESELPSELLMAGSIGLEC7
SCHEMBL19559699 0.74 SELE (0.46) SELESELPSELLMAGSIGLEC7

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-8633303-B2 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS, INC. (US) 2014-01-21 — — US disclosed
Send feedback