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Sugi Predict / Compounds / SCHEMBL15061024

SCHEMBL15061024

SCHEMBL15061024

COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(C)=O)nc3=O)[C@@H](OCOCC(C(F)(F)F)C(F)(F)F)C2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 1/20 0.33
▸ P2RY6 Q15077 2/20 0.31
▸ P2RY14 Q15391 2/20 0.31
▸ NT5E P21589 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
SCHEMBL12434621 0.98 TYMP (0.32) TYMP
SCHEMBL15060561 0.98 TYMP (0.32) TYMP
SCHEMBL24433799 0.93 TYMP (0.35) TYMPP2RY6P2RY14NT5E
SCHEMBL26002238 0.93 TYMP (0.35) TYMPP2RY6P2RY14NT5E
SCHEMBL13715722 0.93 TYMP (0.37) TYMPP2RY6P2RY14NT5E
SCHEMBL3915198 0.93 TYMP (0.37) TYMPP2RY6P2RY14NT5E
SCHEMBL22960854 0.93 TYMP (0.34) TYMPP2RY6P2RY14NT5E
SCHEMBL6518721 0.91 TYMP (0.35) TYMPP2RY6P2RY14NT5E
SCHEMBL667613 0.91 TYMP (0.37) TYMPP2RY6P2RY14NT5E
SCHEMBL31229956 0.91 TYMP (0.37) TYMPP2RY6P2RY14NT5E

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-2479182-B1 NOVEL PROTECTING GROUP FOR SYNTHESIZING RNA AND DERIVATIVE THEREOF CHIRALGEN LTD (JP) 2016-05-25 — — EP disclosed
US-8470987-B2 Protective group for synthesis of RNA and derivative CHIRALGEN, LTD. (JP) 2013-06-25 — — US disclosed