Sugi Predict

Sugi Predict / Compounds / SCHEMBL8166332

SCHEMBL8166332

SCHEMBL8166332

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

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 2/20 0.47
▸ TYMP P19971 1/20 0.44
▸ TK2 O00142 1/20 0.43
▸ TK1 P04183 1/20 0.43

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
SCHEMBL8159110 0.97 TYMS (0.46) TYMSTYMPTK2TK1
SCHEMBL4814982 0.88 TYMS (0.44) TYMSTYMP
SCHEMBL8510099 0.87 TK2 (0.52) TYMSTYMPTK2TK1
SCHEMBL8650972 0.87 TK2 (0.52) TYMSTYMPTK2TK1
SCHEMBL17844996 0.86 TYMS (0.45) TYMSTYMPTK1
SCHEMBL17844997 0.86 TYMS (0.45) TYMSTYMPTK1
SCHEMBL10492848 0.86 TYMS (0.47) TYMSTYMP
SCHEMBL8166335 0.86 TYMS (0.47) TYMSTYMPTK2TK1
SCHEMBL8171324 0.86 TYMS (0.47) TYMSTYMPTK2TK1
SCHEMBL6044983 0.86 TK2 (0.59) TYMSTYMPTK2TK1

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