SCHEMBL19992284

SCHEMBL19992284

CCC(CC)C(OC1OC(C)C(O)C(O)C1O)C(CC)OC1OC(CO)C(O)C(OCC2CCCCC2)C1NC(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 13/20 0.43
▸ ALDH1A1 P00352 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ SLC5A1 P13866 1/20 0.33
▸ SLC5A2 P31639 1/20 0.33
▸ SELL P14151 2/20 0.31
▸ SELP P16109 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
SCHEMBL15070071 0.88 SELE (0.58) SELEALDH1A1THRBSLC5A1SLC5A2
SCHEMBL15070101 0.74 SELE (0.49) SELEALDH1A1THRBSLC5A1SLC5A2
SCHEMBL16661825 0.72 SELE (0.54) SELESELLSELP
SCHEMBL19992328 0.72 ALDH1A1 (0.38) SELEALDH1A1THRB
SCHEMBL17148758 0.71 SELE (0.65) SELESELL
SCHEMBL19865609 0.71 ALDH1A1 (0.38) SELEALDH1A1THRB
SCHEMBL19491946 0.71 SELE (0.50) SELEALDH1A1THRBSELP
SCHEMBL17881698 0.70 SELE (0.70) SELE
SCHEMBL15070099 0.70 SELE (0.70) SELE
SCHEMBL16659815 0.70 SELE (0.70) 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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