SCHEMBL7738340

SCHEMBL7738340

C=C(C)C(=O)OCCC(C)OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
THRB P10828 1/20 0.47
GALR3 O60755 1/20 0.44
MAPT P10636 1/20 0.44
BLM P54132 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
TBXA2R P21731 1/20 0.41
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
ALOX15 P16050 2/20 0.35
FAAH O00519 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 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
SCHEMBL24963 0.91 TSHR (0.52) TSHRTHRBGALR3MAPTBLM
SCHEMBL4593744 0.89 THRB (0.52) TSHRTHRBGALR3MAPTBLM
Propane SCHEMBL8440363 0.87 THRB (0.50) TSHRTHRBGALR3MAPTBLM
SCHEMBL4640880 0.86 TSHR (0.56) TSHRTHRBGALR3MAPTBLM
SCHEMBL23573051 0.84 TSHR (0.59) TSHRTHRBGALR3MAPTBLM
SCHEMBL554544 0.83 TSHR (0.52) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL9769623 0.83 THRB (0.48) TSHRTHRBGALR3MAPTBLM
1,4-Butanediol SCHEMBL1225181 0.83 TSHR (0.45) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL11684183 0.83 TSHR (0.44) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL27847758 0.83 TSHR (0.44) TSHRTHRBSMN1; SMN2ALDH1A1TDP1

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-2000059968-A9 GRAFT, GRAFT-BLOCK, BLOCK-GRAFT, AND STAR-SHAPED COPOLYMERS AND METHODS OF MAKING THEM UNIV NEW YORK STATE RES FOUND (US) 2002-02-21 WO claimed