SCHEMBL19491829

SCHEMBL19491829

CC1C(O[C@@H](CC2CCCCC2)C(=O)O)[C@@H](O)[C@H](CO)O[C@H]1O[C@@H]1CCCC(CI)[C@H]1OC1O[C@@H](C(F)(F)F)C(O)[C@H](O)[C@@H]1O

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 19/20 0.60
▸ SLC5A1 P13866 1/20 0.31
▸ SLC5A2 P31639 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
SCHEMBL19491830 0.90 SELE (0.73) SELE
SCHEMBL16661823 0.83 SELE (0.60) SELE
SCHEMBL15070100 0.83 SELE (0.60) SELE
SCHEMBL17881667 0.83 SELE (0.60) SELE
SCHEMBL19491831 0.81 SELE (0.57) SELE
SCHEMBL22520550 0.79 SELE (0.67) SELE
SCHEMBL15070099 0.76 SELE (0.70) SELE
SCHEMBL16659815 0.76 SELE (0.70) SELE
SCHEMBL17881698 0.76 SELE (0.70) SELE
SCHEMBL21206362 0.76 SELE (0.59) 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
US-9796745-B2 E-selectin antagonist compounds, compositions, and methods of use GLYCOMIMETICS, INC. (US) 2017-10-24 — — US disclosed
Send feedback