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SCHEMBL19992245

SCHEMBL19992245

CC[C@H]1CC(C(=O)NCCNC(=O)Cc2cc(=O)oc3cc(O)ccc23)C[C@@H](O[C@@H]2OC(CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O)C2NC(C)=O)C1OC1O[C@@H](C)C(O)C(O)[C@@H]1O

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 19/20 0.68
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL19943884 1.00 SELE (0.68) SELEKDM4EALDH1A1GLAGAA
SCHEMBL19479238 1.00 SELE (0.68) SELEKDM4EALDH1A1GLAGAA
SCHEMBL19491792 1.00 SELE (0.68) SELEKDM4EALDH1A1GLAGAA
SCHEMBL19479344 1.00 SELE (0.68) SELEKDM4EALDH1A1GLAGAA
SCHEMBL16661822 1.00 SELE (0.68) SELEKDM4EALDH1A1GLAGAA
SCHEMBL24425681 1.00 SELE (0.68) SELEKDM4EALDH1A1GLAGAA
SCHEMBL17777237 1.00 SELE (0.68) SELEKDM4EALDH1A1GLAGAA
SCHEMBL22898069 1.00 SELE (0.68) SELEKDM4EALDH1A1GLAGAA
SCHEMBL22006978 1.00 SELE (0.68) SELEKDM4EALDH1A1GLAGAA
SCHEMBL19479296 1.00 SELE (0.68) SELEKDM4EALDH1A1GLAGAA

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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