SCHEMBL6354344

SCHEMBL6354344

O=C(O)CC(O)CC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
SLC22A6 Q4U2R8 1/20 0.54
MAPT P10636 4/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 2/20 0.52
MAPK1 P28482 2/20 0.52
HPGD P15428 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
CES1 P23141 1/20 0.52
NR4A2 P43354 1/20 0.52
DPP4 P27487 1/20 0.51
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 6/20 0.48
GSK3B P49841 2/20 0.48
TRPA1 O75762 1/20 0.48
HIF1A Q16665 1/20 0.48

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
SCHEMBL6748613 0.83 TSHR (0.59) TSHRMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL3943133 0.82 NR4A2 (0.57) TSHRMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL11768086 0.82 TSHR (0.57) TSHRMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL18863645 0.82 TSHR (0.57) TSHRMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL28184420 0.82 TSHR (0.57) TSHRMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL1606582 0.80 TSHR (0.65) TSHRMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL3102740 0.80 TRPA1 (0.59) TSHRMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL28575145 0.80 DPP4 (0.57) TSHRMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL6354260 0.80 L3MBTL1 (0.58) TSHRMAPTTDP1NR4A2DPP4
SCHEMBL6901686 0.79 TSHR (0.59) TSHRMAPTKMT2ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6861550-B2 Polyhydroxyalkanoate containing 3-hydroxybenzoylalkanoic acid as monomer unit, and method for producing the same CANON KABUSHIKI KAISHA (JP) 2005-03-01 US disclosed
US-20030100084-A1 Polyhydroxyalkanoate containing 3-hydroxybenzoylalkanoic acid as monomer unit, and method for producing the same CANON KABUSHIKI KAISHA (JP) 2003-05-29 US disclosed
EP-1130042-A2 Polyhydroxyalkanoate containing 3-hydroxybenzoylalkanoic acid as monomer unit, and method for producing the same CANON KABUSHIKI KAISHA (JP) 2001-09-05 EP disclosed