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Sugi Predict / Compounds / SCHEMBL9393197

SCHEMBL9393197

SCHEMBL9393197

COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OCCO[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)CC2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 4/20 0.59
▸ RNASE1 P07998 1/20 0.47
▸ TYMS P04818 1/20 0.46
▸ TYMP P19971 1/20 0.45

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
SCHEMBL7266100 0.91 RNASE1 (0.49) TK1RNASE1TYMSTYMP
SCHEMBL22983968 0.89 TYMS (0.56) TK1TYMSTYMP
SCHEMBL2460809 0.89 TYMS (0.56) TK1TYMSTYMP
SCHEMBL14064188 0.89 TYMS (0.56) TK1TYMSTYMP
SCHEMBL22983972 0.89 TYMS (0.56) TK1TYMSTYMP
SCHEMBL23517951 0.89 TYMS (0.56) TK1TYMSTYMP
SCHEMBL2460807 0.89 TYMS (0.56) TK1TYMSTYMP
SCHEMBL22984023 0.89 TYMS (0.56) TK1TYMSTYMP
SCHEMBL7535874 0.89 TYMS (0.56) TK1TYMSTYMP
SCHEMBL9015743 0.89 TYMS (0.56) TK1TYMSTYMP

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
WO-1994022886-A1 HETEROATOMIC OLIGONUCLEOSIDE LINKAGES ISIS PHARMACEUTICALS, INC. (US) 1994-10-13 — — WO disclosed