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Sugi Predict / Compounds / SCHEMBL2553271

SCHEMBL2553271

SCHEMBL2553271

O=C(C[C@](O)(C(=O)OCc1ccc(OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C(O)c1ccccc1)OCc1ccc(OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 1/20 0.47
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SLC5A1 P13866 5/20 0.41
▸ SLC5A2 P31639 4/20 0.41
▸ LGALS8 O00214 1/20 0.41
▸ MAOB P27338 1/20 0.41

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
SCHEMBL2555061 0.95 TYR (0.48) TYRNPC1RAB9ASLC5A1SLC5A2
SCHEMBL31509502 0.84 TYR (0.48) TYRNPC1RAB9ASLC5A1SLC5A2
SCHEMBL28049269 0.83 TYR (0.56) TYRNPC1RAB9ASLC5A1
SCHEMBL29941871 0.82 TYR (0.57) TYRNPC1RAB9ASLC5A1
SCHEMBL29392493 0.82 TYR (0.52) TYRNPC1RAB9ASLC5A1
SCHEMBL29392767 0.80 TYR (0.54) TYRNPC1RAB9ASLC5A1
SCHEMBL3979072 0.79 TYR (0.49) TYRNPC1RAB9ASLC5A1SLC5A2
SCHEMBL28941836 0.79 TYR (0.49) TYRNPC1RAB9ASLC5A1SLC5A2
Vandateroside Ii SCHEMBL15022381 0.78 TYR (0.58) TYRNPC1RAB9ASLC5A1SLC5A2
Vandateroside Ii SCHEMBL15033269 0.78 TYR (0.58) TYRNPC1RAB9ASLC5A1SLC5A2

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
EP-2556080-A1 COSMETIC COMPOSITION Guerlain (FR) 2013-02-13 — — EP claimed
WO-2011125057-A1 COSMETIC COMPOSITION GUERLAIN (FR) 2011-10-13 — — WO claimed
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