SCHEMBL27809151

SCHEMBL27809151

C=C(C)C(=O)OCCCC(=C)C(=O)OCC

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.58
THRB P10828 1/20 0.55
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 7/20 0.39
GLO1 Q04760 1/20 0.36
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
MAPT P10636 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
FAAH O00519 2/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL27829555 0.89 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL9776634 0.89 TSHR (0.68) TSHRTHRBPOLBAPEX1HTT
SCHEMBL12971050 0.89 THRB (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL17813263 0.87 TSHR (0.42) TSHRTHRBALDH1A1GLO1LMNA
SCHEMBL11355650 0.84 TSHR (0.61) TSHRTHRBTDP1ALDH1A1HSD17B10
SCHEMBL10797778 0.84 TSHR (0.65) TSHRTHRBPOLBAPEX1HTT
SCHEMBL27590660 0.84 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL22190966 0.84 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1083624 0.83 TSHR (0.75) TSHRTHRBPOLBAPEX1HTT
SCHEMBL7983922 0.82 ALDH1A1 (0.48) TSHRTHRBALDH1A1GLO1LMNA

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
CN-101591428-B Method for preparing dendritic macromolecule of polyester UNIV ZHEJIANG 2011-05-25 CN disclosed