SCHEMBL22247091

SCHEMBL22247091

CC1O[C@@H](OC2C(NC(=O)c3cc(=O)[nH]c(=O)[nH]3)CCC[C@H]2O[C@@H]2OC(CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O)C2NC(=O)CNC(=O)C(F)(F)F)C(O)C(O)[C@@H]1O

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 19/20 0.57

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
SCHEMBL22247248 0.93 SELE (0.68) SELE
SCHEMBL22247381 0.91 SELE (0.61) SELE
SCHEMBL24621879 0.88 SELE (0.58) SELE
SCHEMBL22247295 0.86 SELE (0.62) SELE
SCHEMBL22247082 0.85 SELE (0.64) SELE
SCHEMBL22247099 0.85 SELE (0.53) SELE
SCHEMBL22247259 0.83 SELE (0.72) SELE
SCHEMBL22247261 0.83 SELE (0.72) SELE
SCHEMBL22247244 0.83 SELE (0.53) SELE
SCHEMBL22247180 0.81 SELE (0.62) 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-2020150263-A1 SELECTIN OR GALECTIN ANTAGONISTS FOR TREATING CYTOKINE RELEASE SYNDROME AND CRS-INDUCED NEUROTOXICITY MAGNANI JOHN L (US) 2020-07-23 — — WO disclosed
Send feedback