SCHEMBL21480237

SCHEMBL21480237

CCC(C)(CC)OC1[C@H](O)C(NC(C)=O)C(OC2[C@@H](C(=O)O)O[C@H](OC)[C@H](O)[C@H]2O)O[C@@H]1CO

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 7/20 0.44
▸ LGALS8 O00214 1/20 0.44
▸ LGALS4 P56470 1/20 0.44
▸ LGALS7; LGALS7B P47929 2/20 0.43
▸ LGALS1 P09382 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ LGALS9 O00182 2/20 0.42
▸ CHIA Q9BZP6 1/20 0.42
▸ CD69 Q07108 1/20 0.41
▸ F10 P00742 1/20 0.40
▸ MDK P21741 3/20 0.40
▸ BDNF P23560 3/20 0.40
▸ PTN P21246 2/20 0.40
▸ FGF1 P05230 1/20 0.40
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL14665994 0.89 LGALS3 (0.49) LGALS3LGALS8LGALS4LGALS7; LGALS7BLGALS1
SCHEMBL22598693 0.87 MDK (0.45) LGALS3LGALS8LGALS4LGALS7; LGALS7BLGALS1
SCHEMBL18648838 0.86 CD69 (0.54) LGALS3LGALS8LGALS4LGALS7; LGALS7BLGALS1
SCHEMBL13483310 0.85 LGALS3 (0.54) LGALS3LGALS8LGALS4LGALS7; LGALS7BLGALS1
SCHEMBL20291137 0.85 LGALS3 (0.45) LGALS3LGALS8LGALS4LGALS7; LGALS7BLGALS1
SCHEMBL27433373 0.84 LGALS3 (0.56) LGALS3LGALS8LGALS4LGALS7; LGALS7BLGALS1
SCHEMBL14904500 0.83 LGALS3 (0.55) LGALS3LGALS8LGALS4LGALS7; LGALS7BLGALS1
SCHEMBL13209070 0.83 LGALS8 (0.47) LGALS3LGALS8LGALS4LGALS7; LGALS7BLGALS1
SCHEMBL15393692 0.83 LGALS8 (0.47) LGALS3LGALS8LGALS4LGALS7; LGALS7BLGALS1
SCHEMBL13483313 0.83 LGALS3 (0.51) LGALS3LGALS8LGALS4LGALS7; LGALS7BLGALS1

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-2542591-B1 SILYL-DERIVATIVES OF POLYSACCHARIDES SILDEHA SWISS SA (CH) 2019-10-16 — — EP disclosed
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