SCHEMBL24126002

SCHEMBL24126002

CCC1CC(C(=O)NCCNC(=O)C(C)(C)CCOC(C)(C)C)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 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 19/20 0.72

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
SCHEMBL19772796 1.00 SELE (0.72) SELE
SCHEMBL26260608 0.96 SELE (0.71) SELE
SCHEMBL19772807 0.95 SELE (0.68) SELE
SCHEMBL21123913 0.94 SELE (0.73) SELE
SCHEMBL22898051 0.94 SELE (0.75) SELE
SCHEMBL25446467 0.94 SELE (0.75) SELE
SCHEMBL19479343 0.93 SELE (0.77) SELE
SCHEMBL19772834 0.92 SELE (0.74) SELE
SCHEMBL25562357 0.91 SELE (0.72) SELE
SCHEMBL24489395 0.91 SELE (0.77) 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
WO-2021257398-A1 COMPOSITIONS AND METHODS FOR OVERCOMING MICROENVIRONMENT-MEDIATED RESISTANCE VIA E-SELECTIN TARGETING MAGNANI JOHN L (US) 2021-12-23 — — WO disclosed
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