SCHEMBL13921313

SCHEMBL13921313

CCc1ccc(CC(=O)OCc2ccc(O[C@@H]3OC(CO)[C@H](O)C(O)[C@@H]3O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 1/20 0.57
▸ NPC1 O15118 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ SLC5A2 P31639 3/20 0.48
▸ SLC5A1 P13866 3/20 0.48
▸ POLB P06746 1/20 0.47

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
SCHEMBL13921321 0.89 TYR (0.57) TYRNPC1RAB9ASLC5A2SLC5A1
SCHEMBL13921320 0.86 TYR (0.54) TYRNPC1RAB9ASLC5A1POLB
SCHEMBL5032748 0.86 TYR (0.71) TYRSLC5A2SLC5A1POLB
SCHEMBL14120404 0.86 TYR (0.71) TYRSLC5A2SLC5A1POLB
SCHEMBL5032151 0.86 TYR (0.71) TYRSLC5A2SLC5A1POLB
SCHEMBL28559839 0.84 TYR (0.65) TYRNPC1RAB9ASLC5A2SLC5A1
SCHEMBL14120021 0.84 NPC1 (0.62) TYRNPC1RAB9ASLC5A2SLC5A1
SCHEMBL13075407 0.81 SLC5A2 (0.51) TYRNPC1RAB9ASLC5A2SLC5A1
SCHEMBL29941871 0.80 TYR (0.57) TYRNPC1RAB9ASLC5A1POLB
SCHEMBL28755274 0.80 TYR (0.51) TYRNPC1RAB9ASLC5A1POLB

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
US-8076466-B2 Saccharidic fluorescent substrates, their process of preparation and their use COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2011-12-13 — — US disclosed
US-20090081634-A1 FLUORESCENT AND SACCHARIDIC SUBSTRATES, THEIR PROCESS OF PREPARATION AND THEIR USE COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2009-03-26 — — US disclosed
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