SCHEMBL7980744

SCHEMBL7980744

CC(=O)OCC(CCS(C)(=O)=O)COC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 6/20 0.36
HSD17B10 Q99714 3/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ADRA1A P35348 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 1/20 0.34
MAPT P10636 3/20 0.32
CYP3A4 P08684 3/20 0.32
KMT2A Q03164 3/20 0.32
USP2 O75604 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL7968200 0.82 PLA2G2C (0.37) PLA2G2CTDP1ALDH1A1HSD17B10HPGD
SCHEMBL6577422 0.77 ALDH1A1 (0.40) TDP1ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL888659 0.75 ALDH1A1 (0.50) TDP1ALDH1A1HSD17B10HPGDLMNA
SCHEMBL13300353 0.74 ALDH1A1 (0.46) TDP1ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL4892644 0.74 TDP1 (0.42) TDP1ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL7749513 0.73 TDP1 (0.38) TDP1ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL6916715 0.72 TDP1 (0.41) TDP1ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL7816892 0.72 TDP1 (0.41) TDP1ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL5930106 0.72 TDP1 (0.45) TDP1ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL13479158 0.72 TDP1 (0.41) TDP1ALDH1A1HSD17B10HPGDKDM4E

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-2001094348-A1 ANTIVIRAL AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2001-12-13 WO disclosed