SCHEMBL3965799

SCHEMBL3965799

CCOC(=O)C1CCCC(CC(=O)O)C1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.46
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 6/20 0.40
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 2/20 0.39
RAB9A P51151 1/20 0.36
PPM1B O75688 1/20 0.36
PTPN1 P18031 1/20 0.36
PPP1CC P36873 1/20 0.36
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 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
SCHEMBL3967641 0.88 TLR4 (0.46) TLR4MAPTALDH1A1MEN1KMT2A
SCHEMBL4077853 0.84 TLR4 (0.55) TLR4MAPTALDH1A1MEN1KMT2A
SCHEMBL13883455 0.81 TLR4 (0.45) TLR4MAPTALDH1A1MEN1KMT2A
SCHEMBL5659584 0.78 TLR4 (0.50) TLR4MAPTALDH1A1MEN1KMT2A
SCHEMBL1617437 0.76 TLR4 (0.49) TLR4MAPTALDH1A1MEN1KMT2A
SCHEMBL8187713 0.76 TLR4 (0.49) TLR4MAPTALDH1A1MEN1KMT2A
SCHEMBL4080364 0.76 ALDH1A1 (0.51) TLR4MAPTALDH1A1MEN1KMT2A
SCHEMBL10642674 0.76 TP53 (0.62) TP53L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL7414681 0.76 TP53 (0.62) TP53L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL11674366 0.76 ALDH1A1 (0.45) TLR4MAPTALDH1A1MEN1KMT2A

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