SCHEMBL7749513

SCHEMBL7749513

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 4/20 0.36
LMNA P02545 3/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 2/20 0.34
USP2 O75604 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MMP9 P14780 1/20 0.34
ALOX15 P16050 1/20 0.34
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
PGR P06401 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
HTR1A P08908 1/20 0.30
CHRM5 P08912 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
SCHEMBL6577422 0.82 ALDH1A1 (0.40) TDP1ALDH1A1LMNAHSD17B10TSHR
SCHEMBL888659 0.82 ALDH1A1 (0.50) TDP1ALDH1A1LMNAHSD17B10TSHR
SCHEMBL2166824 0.82 CA1 (0.43) TDP1ALDH1A1LMNAHSD17B10TSHR
SCHEMBL6154154 0.79 ALDH1A1 (0.46) ALDH1A1CA12CA2CA7CA14
SCHEMBL6153593 0.79 ALDH1A1 (0.46) ALDH1A1CA12CA2CA7CA14
SCHEMBL6154318 0.79 ALDH1A1 (0.46) ALDH1A1CA12CA2CA7CA14
SCHEMBL14980071 0.79 GAA (0.44) TDP1ALDH1A1LMNAHSD17B10TSHR
SCHEMBL6153821 0.77 MME (0.39) ALDH1A1LMNAALOX15CYP3A4
SCHEMBL16627358 0.74 TDP1 (0.66) TDP1
SCHEMBL7980744 0.73 PLA2G2C (0.38) TDP1ALDH1A1LMNAHSD17B10TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019404-A4 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMW SCIENT IND RES ORG (AU) 2001-07-04 EP disclosed
EP-1019404-A1 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-07-19 EP disclosed
WO-1999012927-A1 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1999-03-18 WO disclosed