SCHEMBL362428

SCHEMBL362428

CCC(OC(C)=O)C(C)OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 1/20 0.40
GALR3 O60755 1/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PGD P52209 1/20 0.33
ALOX15 P16050 1/20 0.32
KCNH2 Q12809 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
HRH1 P35367 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
Ethylene Glycol SCHEMBL8111484 0.94 TSHR (0.41) TSHRTDP1TRPV1CHRM2CHRM4
SCHEMBL4918954 0.86 TSHR (0.42) TSHRTDP1TRPV1CHRM2CHRM4
SCHEMBL7875149 0.85 TDP1 (0.48) TSHRTDP1TRPV1CHRM2CHRM4
SCHEMBL1232896 0.83 TSHR (0.48) TSHRTDP1TRPV1CHRM2CHRM4
SCHEMBL1698005 0.83 TSHR (0.48) TSHRTDP1TRPV1CHRM2CHRM4
SCHEMBL14524745 0.82 TSHR (0.45) TSHRTDP1TRPV1CHRM2CHRM4
SCHEMBL10793139 0.82 TRPV1 (0.43) TSHRTDP1TRPV1CHRM2CHRM4
SCHEMBL10793127 0.82 TRPV1 (0.43) TSHRTDP1TRPV1CHRM2CHRM4
SCHEMBL10793131 0.82 TRPV1 (0.43) TSHRTDP1TRPV1CHRM2CHRM4
SCHEMBL27420071 0.81 TSHR (0.38) TSHRTDP1TRPV1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118290350-A Heteroaryl and bisheteroaryl derivatives for the treatment of iron death-related disorders 协同医药发展有限公司 2024-07-05 CN disclosed
CN-113631535-B Heteroaryl and bisheteroaryl derivatives for the treatment of iron death-related disorders 协同医药发展有限公司 2024-04-12 CN disclosed
EP-2254935-B1 COATED POLYOXYMETHYLENES BASF SE (DE) 2012-04-25 EP disclosed
EP-2235092-B1 COATED POLYOXYMETHYLENES BASF SE (DE) 2012-03-14 EP disclosed
WO-2009098256-A1 COATED POLYOXYMETHYLENES BASF SE (DE) 2009-08-13 WO disclosed
WO-2009092698-A1 COATED POLYOXYMETHYLENES BASF SE (DE) 2009-07-30 WO disclosed