SCHEMBL6035974

SCHEMBL6035974

C=COC(I)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DUT P33316 4/20 0.47
SLC28A1 O00337 1/20 0.37
SLC28A2 O43868 1/20 0.37
SLC29A1 Q99808 1/20 0.37
SLC28A3 Q9HAS3 1/20 0.37
P2RY2 P41231 7/20 0.36
P2RY6 Q15077 3/20 0.36
P2RY4 P51582 4/20 0.35
TK1 P04183 3/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL629553 0.87 DUT (0.45) DUTSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL1009599 0.87 DUT (0.45) DUTSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL15414026 0.85 DUT (0.46) DUTSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL28745696 0.84 DUT (0.51) DUTSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL10765602 0.84 DUT (0.51) DUTSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL249821 0.84 DUT (0.51) DUTSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL9765650 0.83 DUT (0.55) DUTP2RY2P2RY6P2RY4
SCHEMBL1619710 0.82 DUT (0.49) DUTSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL1619707 0.82 DUT (0.49) DUTSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL25752564 0.81 DUT (0.51) DUTSLC28A1SLC28A2SLC29A1SLC28A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0101441-B1 ANTI-VIRAL COMPOSITIONS SYNTEX (U.S.A.) INC. (US) 1987-01-14 EP claimed
EP-0101441-A4 ANTI-VIRAL COMPOSITIONS. ENS BIO LOGICALS INC (CA) 1985-04-11 EP claimed
EP-0101441-A1 ANTI-VIRAL COMPOSITIONS. ENS BIO LOGICALS INC (CA) 1984-02-29 EP claimed
WO-1983002723-A1 ANTI-VIRAL COMPOSITIONS SMITH, KENDALL, O. 1983-08-18 WO claimed
US-20060223775-A1 Nucleotide sequence for treating cancer and infection ZEICHER MARC 2006-10-05 US disclosed
US-5422345-A Useful in diagnosing or treating herpes viral infections TRIUMF (CA) 1995-06-06 US disclosed
US-5248771-A Diagnosis and treatment of brain disorders caused by herpes herpes virus TRIUMF (CA) 1993-09-28 US disclosed