SCHEMBL22247381

SCHEMBL22247381

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)CN)C(O)C(O)[C@@H]1O

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 19/20 0.61
▸ FGF1 P05230 1/20 0.31
▸ FGF2 P09038 1/20 0.31
▸ VEGFA P15692 1/20 0.31
▸ HPSE Q9Y251 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
SCHEMBL22247259 0.92 SELE (0.72) SELEFGF1FGF2VEGFAHPSE
SCHEMBL22247091 0.91 SELE (0.57) SELE
SCHEMBL22247293 0.87 SELE (0.68) SELE
SCHEMBL22247261 0.87 SELE (0.72) SELE
SCHEMBL22247244 0.86 SELE (0.53) SELE
SCHEMBL24621682 0.86 SELE (0.61) SELE
SCHEMBL22247270 0.85 SELE (0.66) SELE
SCHEMBL22247257 0.85 SELE (0.65) SELE
SCHEMBL22247099 0.84 SELE (0.53) SELE
SCHEMBL22247343 0.84 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
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
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