SCHEMBL12809727

SCHEMBL12809727

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
PTPRB P23467 1/20 0.36
LMNA P02545 3/20 0.34
CA12 O43570 2/20 0.34
CA14 Q9ULX7 2/20 0.34
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
TET2 Q6N021 1/20 0.31
KDM5A P29375 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
SCHEMBL1406429 0.92 TSHR (0.48) TSHRKMT2AMEN1MGAMGAA
SCHEMBL12809536 0.87 TSHR (0.43) TSHRKMT2AMEN1MGAMGAA
SCHEMBL16209873 0.86 TSHR (0.55) TSHRKMT2AMEN1MGAMGAA
SCHEMBL14600838 0.86 TSHR (0.55) TSHRKMT2AMEN1MGAMGAA
SCHEMBL1406412 0.85 TSHR (0.48) TSHRKMT2AMEN1MGAMGAA
SCHEMBL24228618 0.81 MEN1 (0.43) TSHRKMT2AMEN1MGAMGAA
SCHEMBL4901424 0.81 ALDH1A1 (0.38) TSHRKMT2AMEN1MGAMGAA
SCHEMBL1406300 0.81 TSHR (0.44) TSHRKMT2AMEN1MGAMGAA
SCHEMBL1406233 0.81 PTPN1 (0.32) TSHRPTPRBLMNA
SCHEMBL14600835 0.80 USP2 (0.32) PTPRBLMNA

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
EP-1490412-B1 PHOTOINITIATOR, NOVEL COMPOUND, AND PHOTOCURABLE COMPOSITION DAINIPPON INK & CHEMICALS (JP) 2011-03-09 EP disclosed