SCHEMBL4077853

SCHEMBL4077853

CCOC(=O)C1CCCC(C(=O)OCC)C1=O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.55
ALDH1A1 P00352 6/20 0.49
MAPT P10636 4/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPM1B O75688 1/20 0.40
PTPN1 P18031 1/20 0.40
PPP1CC P36873 1/20 0.40
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL4080364 0.92 ALDH1A1 (0.51) TLR4ALDH1A1MAPTKMT2AMEN1
SCHEMBL5659584 0.89 TLR4 (0.50) TLR4ALDH1A1MAPTKMT2AMEN1
SCHEMBL8187713 0.88 TLR4 (0.49) TLR4ALDH1A1MAPTKMT2AMEN1
SCHEMBL1617437 0.88 TLR4 (0.49) TLR4ALDH1A1MAPTKMT2AMEN1
SCHEMBL25014921 0.86 TLR4 (0.48) TLR4ALDH1A1MAPTKMT2AMEN1
SCHEMBL5896856 0.85 TLR4 (0.47) TLR4ALDH1A1MAPTKMT2AMEN1
SCHEMBL3965799 0.84 TLR4 (0.46) TLR4ALDH1A1MAPTKMT2AMEN1
SCHEMBL3967641 0.84 TLR4 (0.46) TLR4ALDH1A1MAPTKMT2AMEN1
SCHEMBL13883455 0.82 TLR4 (0.45) TLR4ALDH1A1MAPTKMT2AMEN1
SCHEMBL3081279 0.82 LMNA (0.47) TLR4ALDH1A1MAPTKMT2AMEN1

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-2009049018-A1 NOVEL COMPOUNDS AND METHODS OF USING THEM SYNDAX PHARMACEUTICALS, INC. (US) 2009-04-16 WO disclosed