SCHEMBL29220895

SCHEMBL29220895

COc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2OC(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 2/20 0.47
▸ LGALS4 P56470 1/20 0.47
▸ LGALS8 O00214 2/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ LGALS9 O00182 1/20 0.45
▸ LGALS1 P09382 1/20 0.45
▸ LGALS7; LGALS7B P47929 1/20 0.45

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
SCHEMBL29220820 0.92 LGALS8 (0.54) LGALS3LGALS4LGALS8LGALS9LGALS1
SCHEMBL29220816 0.89 LGALS3 (0.51) LGALS3LGALS4LGALS8LGALS9LGALS1
SCHEMBL29220827 0.87 LGALS3 (0.59) LGALS3LGALS4LGALS8LGALS9LGALS1
SCHEMBL29220949 0.87 LGALS3 (0.59) LGALS3LGALS4LGALS8LGALS9LGALS1
SCHEMBL29220963 0.86 LGALS3 (0.51) LGALS3LGALS4
SCHEMBL23121472 0.83 LGALS9 (0.51) LGALS3LGALS8LGALS9LGALS1LGALS7; LGALS7B
SCHEMBL29220913 0.83 LGALS3 (0.51) LGALS3LGALS4LGALS8LGALS9LGALS1
SCHEMBL17880710 0.81 LGALS3 (0.52) LGALS3LGALS4LGALS8NPC1RAB9A
SCHEMBL29220989 0.81 LGALS3 (0.57) LGALS3LGALS4LGALS8LGALS9LGALS1
SCHEMBL29220908 0.80 LGALS8 (0.60) LGALS3LGALS4LGALS8LGALS9LGALS1

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
CN-118119631-A Programmable selective acylation of polyols 南洋理工大学 2024-05-31 — — CN disclosed
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