SCHEMBL4409714

SCHEMBL4409714

[CH2][C@H]1OC(n2cc(C)c(=O)[nH]c2=O)[C@](C)(F)C1(C)OC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
ALB P02768 1/20 0.40
POLB P06746 1/20 0.40
ADRA1A P35348 1/20 0.40
BLM P54132 1/20 0.40
TK1 P04183 5/20 0.39
NPSR1 Q6W5P4 1/20 0.36
TYMP P19971 1/20 0.36
DHFR P00374 1/20 0.35
NT5M Q9NPB1 1/20 0.35

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
SCHEMBL4264581 1.00 ALDH1A1 (0.40) ALDH1A1LMNAALBPOLBADRA1A
SCHEMBL4264583 0.88 ALDH1A1 (0.40) ALDH1A1LMNAALBPOLBADRA1A
SCHEMBL4269958 0.83 ALDH1A1 (0.39) ALDH1A1LMNAALBPOLBADRA1A
SCHEMBL4273602 0.83 ALDH1A1 (0.39) ALDH1A1LMNAALBPOLBADRA1A
SCHEMBL4263186 0.83 ALDH1A1 (0.39) ALDH1A1LMNAALBPOLBADRA1A
SCHEMBL4261514 0.83 ALDH1A1 (0.39) ALDH1A1LMNAALBPOLBADRA1A
SCHEMBL4259801 0.83 ALDH1A1 (0.39) ALDH1A1LMNAALBPOLBADRA1A
SCHEMBL4411998 0.82 ALDH1A1 (0.44) ALDH1A1LMNAALBPOLBADRA1A
SCHEMBL4275804 0.77 RNASE1 (0.45) ALDH1A1LMNAALBPOLBADRA1A
SCHEMBL4261563 0.77 RNASE1 (0.45) ALDH1A1LMNAALBPOLBADRA1A

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-2009115893-A2 NOVEL NUCLEOSIDE DERIVATIVES HETERO RESEARCH FOUNDATION (IN) 2009-09-24 WO disclosed