SCHEMBL8892071

SCHEMBL8892071

COc1ccccc1C(c1ccccc1)(c1ccccc1OC)C(O)[C@H]1O[C@@H](n2cc(C=O)c(=O)[nH]c2=O)C[C@@H]1O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TK1 P04183 5/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TYMS P04818 3/20 0.37

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
SCHEMBL7602616 0.92 TK1 (0.42) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL1687292 0.89 TK1 (0.51) TK1
SCHEMBL5086839 0.89 TK1 (0.46) TK1TYMS
SCHEMBL5486401 0.89 LMNA (0.46) TK1TYMS
SCHEMBL8892073 0.89 TYMS (0.43) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL7598501 0.88 TK1 (0.41) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL2027057 0.88 LMNA (0.49) TK1TYMS
SCHEMBL20840413 0.88 TK1 (0.40) TK1TYMS
SCHEMBL14761760 0.87 TK1 (0.40) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL2030339 0.86 TK1 (0.38) TK1TYMS

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5633361-A OLIGONUCLEOTIDES WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) 1997-05-27 US disclosed
US-5591843-A 5-modified pyrimidines from palladium catalyzed carbon-carbon coupling EATON BRUCE (US) 1997-01-07 US disclosed
EP-0702675-A1 METHOD FOR PALLADIUM CATALYZED CARBON-CARBON COUPLING AND PRODUCTS WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) 1996-03-27 EP disclosed
EP-0702675-A4 METHOD FOR PALLADIUM CATALYZED CARBON-CARBON COUPLING AND PRODUCTS UNIV WASHINGTON (US) 1996-02-02 EP disclosed
US-5428149-A Reacting vinyl and aryl stannanes with 2'-deoxy-5-halo-uridine WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) 1995-06-27 US disclosed
WO-1994029279-A1 METHOD FOR PALLADIUM CATALYZED CARBON-CARBON COUPLING AND PRODUCTS WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) 1994-12-22 WO disclosed