SCHEMBL4749295

SCHEMBL4749295

O=c1[nH]c(=O)n([C@@]2(F)CC[C@@H](CO)O2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PYGM P11217 1/20 0.39
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA4 P48058 1/20 0.34
GRIK5 Q16478 1/20 0.34
TK1 P04183 2/20 0.31
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 2/20 0.31
ALB P02768 1/20 0.31
POLB P06746 1/20 0.31
ADRA1A P35348 1/20 0.31
BLM P54132 1/20 0.31
TK2 O00142 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL30841853 0.86 ALDH1A1 (0.41) TK1LMNAALDH1A1ALBPOLB
SCHEMBL339966 0.86 ALDH1A1 (0.41) TK1LMNAALDH1A1ALBPOLB
SCHEMBL4748323 0.84 TK1 (0.35) TK1LMNAALDH1A1ALBPOLB
SCHEMBL28377042 0.79 SLC28A1 (0.38) LMNAALDH1A1
SCHEMBL8104285 0.72 LMNA (0.41) GRIA1GRIA2GRIA4GRIK5LMNA
SCHEMBL2633815 0.71 LMNA (0.41) TK1LMNAALDH1A1ALBPOLB
SCHEMBL2012504 0.70 ALDH1A1 (0.43) TK1LMNAALDH1A1ALBPOLB
SCHEMBL28765909 0.70 LMNA (0.42) TK1LMNAALDH1A1ALBPOLB
SCHEMBL8412869 0.69 ALDH1A1 (0.40) TK1LMNAALDH1A1ALBPOLB
SCHEMBL3611848 0.69 LMNA (0.41) TK1LMNAALDH1A1ALBPOLB

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-2008118879-A2 ANTIVIRAL COMPOSITIONS COMPRISING 2 COMPOUNDS ARDEA BIOSCIENCES, INC. (US) 2008-10-02 WO disclosed