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Sugi Predict / Compounds / SCHEMBL19491832

SCHEMBL19491832

SCHEMBL19491832

CC(=O)NC1C(O[C@@H](CC2CCCCC2)C(=O)O)[C@@H](O)[C@H](C(F)F)O[C@H]1O[C@@H](C)CCC[C@H](COC1O[C@@H](C)C(O)[C@H](O)[C@@H]1O)C(F)F

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 14/20 0.45
▸ SELL P14151 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL19479258 1.00 SELE (0.45) SELESELLALDH1A1THRBMAPK1
SCHEMBL19479259 0.94 SELE (0.39) SELESELL
SCHEMBL19479231 0.92 SELE (0.44) SELESELLALDH1A1THRB
SCHEMBL19992325 0.91 SELE (0.46) SELEALDH1A1THRBMAPK1
SCHEMBL17881672 0.86 SELE (0.46) SELESELL
SCHEMBL16661869 0.78 SELE (0.55) SELESELL
SCHEMBL18027947 0.78 SELE (0.55) SELESELL
SCHEMBL17881708 0.78 SELE (0.55) SELESELL
SCHEMBL17881676 0.78 SELE (0.55) SELESELL
SCHEMBL19992237 0.78 SELE (0.39) SELESELLALDH1A1THRB

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-9796745-B2 E-selectin antagonist compounds, compositions, and methods of use GLYCOMIMETICS, INC. (US) 2017-10-24 — — US disclosed
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