SCHEMBL92609

SCHEMBL92609

C#CCCCCc1cn([C@H]2CC(OP(OCCN)N(C(C)C)C(C)C)[C@@H](COC(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)O2)c(=O)[nH]c1=O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TYMP P19971 2/20 0.32
TYMS P04818 2/20 0.32
HSP90AA1 P07900 1/20 0.31
RNASE1 P07998 1/20 0.30
TK2 O00142 1/20 0.30
TK1 P04183 1/20 0.30

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
SCHEMBL21901419 0.87 RNASE1 (0.40) TYMPTYMSRNASE1TK2TK1
SCHEMBL21901662 0.85 TYMS (0.35) TYMPTYMSHSP90AA1RNASE1TK1
SCHEMBL21901663 0.85 RNASE1 (0.40) RNASE1TK2TK1
SCHEMBL21901655 0.85 TYMS (0.35) TYMPTYMSHSP90AA1RNASE1
SCHEMBL15196590 0.85 TYMP (0.32) TYMPTYMS
SCHEMBL24263899 0.84 TYMP (0.34) TYMPTYMSHSP90AA1RNASE1
SCHEMBL29506318 0.84 TYMP (0.34) TYMPTYMSHSP90AA1RNASE1
SCHEMBL31034815 0.83 TYMS (0.34) TYMPTYMSRNASE1
SCHEMBL8165596 0.83 TYMS (0.31) TYMPTYMS
SCHEMBL30358015 0.83 HSP90AA1 (0.40) TYMPTYMSHSP90AA1RNASE1

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-8129315-B2 Labelling strategies for the sensitive detection of analytes BASECLICK GMBH (DE) 2012-03-06 US disclosed