SCHEMBL8535388

SCHEMBL8535388

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

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TK2 O00142 10/20 0.36
TK1 P04183 4/20 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
SCHEMBL8535383 1.00 TK2 (0.36) TK2TK1
SCHEMBL8613984 0.94 TK2 (0.32) TK2TK1
SCHEMBL8537059 0.89 TK2 (0.32) TK2TK1
SCHEMBL8537057 0.89 TK2 (0.32) TK2TK1
SCHEMBL6830069 0.83 TK1 (0.38) TK2TK1
SCHEMBL6827522 0.83 TK1 (0.38) TK2TK1
SCHEMBL8536370 0.78 TK2 (0.35) TK2TK1
SCHEMBL8536368 0.78 TK2 (0.35) TK2TK1
SCHEMBL8537328 0.78 TK2 (0.32) TK2TK1
SCHEMBL18315872 0.76 TK1 (0.41) TK2TK1

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-5750343-A Methods of detecting nucleic acids with nucleotide probes containing 4'-substituted nucleotides and kits therefor SYNTEX INC. (US) 1998-05-12 US disclosed
US-5446137-A Substituent selected from linking group containing modifiers such as biotin, reactive groups, nucleic acids, catalysts, DNA intercalators, minor groove binders, clevage agents, and detectable labels SYNTEX (U.S.A.) INC. (US) 1995-08-29 US disclosed