SCHEMBL6863542

SCHEMBL6863542

COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@@]3(OC)OCCC23O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.39
TK2 O00142 10/20 0.38
TK1 P04183 7/20 0.38
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL1096934 1.00 TYMP (0.39) TYMPTK2TK1HSP90AA1
SCHEMBL1096640 0.80 LMNA (0.44) TK1
SCHEMBL7257854 0.79 TK2 (0.31) TYMPTK2TK1
SCHEMBL1098307 0.79 TK2 (0.31) TYMPTK2TK1
SCHEMBL6830770 0.79 TK2 (0.43) TYMPTK2TK1
SCHEMBL1097282 0.79 TYMP (0.40) TYMPTK2TK1HSP90AA1
SCHEMBL6827415 0.78 TK2 (0.45) TK2TK1
SCHEMBL6323179 0.78 TK2 (0.42) TYMPTK2TK1
SCHEMBL6832155 0.77 TK2 (0.42) TYMPTK2TK1
SCHEMBL6831283 0.76 TK2 (0.41) TYMPTK2TK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6794499-B2 BICYCLIC LOCKED NUCLEOSIDE ANALOGUES EXIQON A/S (DK) 2004-09-21 US disclosed