SCHEMBL19992325

SCHEMBL19992325

CC(=O)NC1C(OC(C)CCCC(OC2OC(C)C(O)C(O)C2O)C(F)F)OC(C(F)F)C(O)C1OC(CC1CCCCC1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 15/20 0.46
▸ ALDH1A1 P00352 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ MAPK1 P28482 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
SCHEMBL19479258 0.91 SELE (0.45) SELEALDH1A1THRBMAPK1
SCHEMBL19491832 0.91 SELE (0.45) SELEALDH1A1THRBMAPK1
SCHEMBL19479231 0.88 SELE (0.44) SELEALDH1A1THRB
SCHEMBL19479259 0.85 SELE (0.39) SELE
SCHEMBL19992237 0.82 SELE (0.39) SELEALDH1A1THRB
SCHEMBL17881672 0.82 SELE (0.46) SELE
SCHEMBL18027947 0.80 SELE (0.55) SELE
SCHEMBL17881676 0.80 SELE (0.55) SELE
SCHEMBL16661869 0.80 SELE (0.55) SELE
SCHEMBL17881708 0.80 SELE (0.55) SELE

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
EP-3296310-A1 E-SELECTIN ANTAGONIST COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GlycoMimetics, Inc. (US) 2018-03-21 — — EP disclosed
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