SCHEMBL26127976

SCHEMBL26127976

COc1ccc(O[C@H]2O[C@H](C)[C@@H](N=[N+]=[N-])[C@H](O)[C@@H]2N=[N+]=[N-])cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SLC5A1 P13866 3/20 0.31
▸ SLC5A2 P31639 3/20 0.31
▸ HTR3E A5X5Y0 1/20 0.30
▸ HTR3B O95264 1/20 0.30
▸ HTR3A P46098 1/20 0.30
▸ HTR3D Q70Z44 1/20 0.30
▸ HTR3C Q8WXA8 1/20 0.30
▸ TYR P14679 1/20 0.30
▸ LGALS8 O00214 1/20 0.30

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
SCHEMBL16693134 0.84 TYR (0.44) SLC5A1SLC5A2TYRLGALS8
SCHEMBL16673129 0.84 TYR (0.44) SLC5A1SLC5A2TYRLGALS8
SCHEMBL18022564 0.84 TYR (0.44) SLC5A1SLC5A2TYRLGALS8
SCHEMBL16673131 0.84 TYR (0.44) SLC5A1SLC5A2TYRLGALS8
SCHEMBL26129438 0.83 ALDH1A1 (0.46) CA9
SCHEMBL18676120 0.74 SLC5A2 (0.36) HPGDSLC5A1SLC5A2
SCHEMBL1491947 0.72 CA12 (0.51) CA12CA9HPGDSLC5A1SLC5A2
SCHEMBL16180024 0.72 MGAM (0.33) —
SCHEMBL17577323 0.72 MGAM (0.33) —
SCHEMBL1491881 0.72 CA12 (0.51) CA12CA9HPGDSLC5A1SLC5A2

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
WO-2023183781-A2 LEGIONAMINIC ACID GLYCOSYLTRANSFERASES FOR CHEMOENZYMATIC SYNTHESIS OF GLYCANS AND GLYCOCONJUGATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-09-28 — — WO disclosed
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