SCHEMBL13893506

SCHEMBL13893506

CC(=O)OC(C)C(OC(C)=O)C(OC(C)=O)C(CO)OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 2/20 0.39
TRPV1 Q8NER1 1/20 0.37
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
GALR3 O60755 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALOX15 P16050 1/20 0.32

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
SCHEMBL15892789 0.89 TDP1 (0.59) TDP1TSHRTRPV1CHRM2CHRM4
SCHEMBL15298820 0.89 TDP1 (0.43) TDP1TSHRTRPV1CHRM2CHRM4
SCHEMBL15892785 0.82 TDP1 (0.52) TDP1TSHRTRPV1CHRM2CHRM4
SCHEMBL13295366 0.81 TDP1 (0.79) TDP1TSHRTRPV1CHRM2CHRM4
SCHEMBL7153751 0.81 TDP1 (0.79) TDP1TSHRTRPV1CHRM2CHRM4
SCHEMBL7154920 0.81 TDP1 (0.79) TDP1TSHRTRPV1CHRM2CHRM4
SCHEMBL7149904 0.81 TDP1 (0.79) TDP1TSHRTRPV1CHRM2CHRM4
SCHEMBL4530510 0.80 TDP1 (0.50) TDP1TSHRTRPV1CHRM2CHRM4
SCHEMBL23720379 0.79 TDP1 (0.82) TDP1TSHRTRPV1CHRM2CHRM4
SCHEMBL15895102 0.78 TDP1 (0.48) TDP1TSHRTRPV1CHRM2CHRM4

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-2018033719-A1 COMPOUNDS UNIVERSITETET I OSLO (NO) 2018-02-22 WO disclosed