SCHEMBL27510704

SCHEMBL27510704

O=C(OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(C(=O)OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 1/20 0.51
▸ LGALS9 O00182 2/20 0.51
▸ LGALS1 P09382 2/20 0.51
▸ LGALS3 P17931 2/20 0.51
▸ MAOB P27338 1/20 0.51
▸ LGALS7; LGALS7B P47929 1/20 0.50

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
SCHEMBL15711517 0.94 TYR (0.61) TYR
SCHEMBL29161024 0.94 TYR (0.61) TYR
SCHEMBL467820 0.94 TYR (0.61) TYR
SCHEMBL7938131 0.93 MAOB (0.46) TYRLGALS9LGALS1LGALS3MAOB
SCHEMBL8635217 0.93 MAOB (0.46) TYRLGALS9LGALS1LGALS3MAOB
SCHEMBL9236676 0.93 LGALS3 (0.62) LGALS9LGALS1LGALS3
SCHEMBL8635222 0.93 MAOB (0.46) TYRLGALS9LGALS1LGALS3MAOB
SCHEMBL9451232 0.92 LGALS9 (0.60) LGALS9LGALS1LGALS3MAOBLGALS7; LGALS7B
SCHEMBL10524702 0.92 LGALS9 (0.60) LGALS9LGALS1LGALS3MAOBLGALS7; LGALS7B
SCHEMBL8762538 0.92 LGALS9 (0.60) LGALS9LGALS1LGALS3MAOBLGALS7; LGALS7B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1222533-C Gallotannins and ellagitannins as modulators of cytokine release PENN STATE RES FOUND (US) 2005-10-12 — — CN claimed
CN-1425021-A Gallotannins and ellagitannins as modulators of cytokine release PENN STATE RES FOUND (US) 2003-06-18 — — CN claimed
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