SCHEMBL17676530

SCHEMBL17676530

OCC1O[C@@H](Oc2cccc(-c3c4nc(c(-c5cccc(O[C@@H]6OC(CO)[C@H](O)C(O)[C@@H]6O)c5)c5ccc([nH]5)c(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)c5nc(c(-c6cccc(O[C@@H]7OC(CO)[C@H](O)C(O)[C@@H]7O)c6)c6ccc3[nH]6)[C@@H](O)[C@H]5O)C=C4)c2)[C@@H](O)C(O)[C@H]1O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 6/20 0.37
▸ SLC5A1 P13866 4/20 0.37
▸ TYR P14679 3/20 0.37
▸ ATM Q13315 1/20 0.34

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
SCHEMBL17676536 1.00 SLC5A2 (0.37) SLC5A2SLC5A1TYRATM
SCHEMBL13470053 1.00 SLC5A2 (0.37) SLC5A2SLC5A1TYRATM
SCHEMBL13469658 1.00 SLC5A2 (0.37) SLC5A2SLC5A1TYRATM
SCHEMBL13454446 1.00 SLC5A2 (0.37) SLC5A2SLC5A1TYRATM
SCHEMBL13454443 1.00 SLC5A2 (0.37) SLC5A2SLC5A1TYRATM
SCHEMBL13469661 1.00 SLC5A2 (0.37) SLC5A2SLC5A1TYRATM
SCHEMBL24218349 1.00 SLC5A2 (0.37) SLC5A2SLC5A1TYRATM
SCHEMBL13454441 1.00 SLC5A2 (0.37) SLC5A2SLC5A1TYRATM
SCHEMBL17676531 1.00 SLC5A2 (0.37) SLC5A2SLC5A1TYRATM
SCHEMBL13470054 0.95 TYR (0.40) SLC5A2SLC5A1TYR

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
US-9308185-B2 Glyco-substituted dihydroxy-chlorins and β-functionalized chlorins for anti-microbial photodynamic therapy BIOLITEC PHARMA MARKETING LTD (MY) 2016-04-12 — — US disclosed
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