SCHEMBL7980746

SCHEMBL7980746

CC(=O)OCC(C)CC(OC(C)=O)S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 2/20 0.34
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
GAA P10253 1/20 0.32
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ALOX15 P16050 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
SCHEMBL1330746 0.74 TDP1 (0.39) TDP1TSHRCHRM2CHRM4CHRM1
SCHEMBL1330745 0.74 TDP1 (0.39) TDP1TSHRCHRM2CHRM4CHRM1
SCHEMBL15541862 0.73 TDP1 (0.42) TDP1TSHRCHRM2CHRM4CHRM1
SCHEMBL9756912 0.72 TDP1 (0.48) TDP1TSHRCHRM2CHRM4CHRM1
SCHEMBL7979525 0.71 TSHR (0.39) TDP1TSHRCHRM2CHRM4CHRM1
SCHEMBL27446867 0.71 TDP1 (0.41) TDP1TSHRCHRM2CHRM4CHRM1
SCHEMBL2166824 0.71 CA1 (0.43) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL12124735 0.70 TDP1 (0.39) TDP1TSHRCHRM2CHRM4CHRM1
SCHEMBL22636336 0.70 TDP1 (0.39) TDP1TSHRCHRM2CHRM4CHRM1
SCHEMBL15542043 0.70 ALDH1A1 (0.42) TDP1TSHRCHRM2CHRM4CHRM1

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