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Sugi Predict / Compounds / SCHEMBL8166011

SCHEMBL8166011

SCHEMBL8166011

COc1ccc(C(OC[C@H]2O[C@@H](n3cc(CCCNC(=O)C(F)(F)F)c(=O)[nH]c3=O)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 2/20 0.32
▸ TYMP P19971 2/20 0.31
▸ RNASE1 P07998 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
SCHEMBL8165596 0.98 TYMS (0.31) TYMSTYMP
SCHEMBL28636366 0.89 TYMS (0.30) TYMS
SCHEMBL29414478 0.89 TYMS (0.30) TYMS
SCHEMBL13403288 0.87 TYMS (0.30) TYMS
SCHEMBL31034815 0.87 TYMS (0.34) TYMSTYMPRNASE1
SCHEMBL13238297 0.86 — —
SCHEMBL21901657 0.86 LMNA (0.36) TYMSTYMPRNASE1
SCHEMBL30358015 0.86 HSP90AA1 (0.40) TYMSTYMPRNASE1
SCHEMBL27206891 0.86 HSP90AA1 (0.40) TYMSTYMPRNASE1
SCHEMBL8860729 0.86 POLB (0.30) —

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-6031086-A HAVING DIMINISHED CHARGE BUT UNDIMINISHED ABILITY TO COMPLEX WITH NATURAL DNA AT LOW IONIC STRENGTHS; PREPARED BY REPLACING NATURAL NUCLEOTIDES WITH UNNATURAL ZWITTERIONIC NUCLEOTIDES; MEMBRANE PERMEABLE AND NUCLEASE RESISTANT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-02-29 — — US disclosed
US-5596091-A DNA AND RNA FOR GENE EXPRESSION FOR DIAGNOSIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-01-21 — — US disclosed