SCHEMBL27485802

SCHEMBL27485802

COC(=O)CC(=O)C(C)(C)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
TSHR P16473 4/20 0.42
HSD17B10 Q99714 2/20 0.39
KMT2A Q03164 2/20 0.37
TET2 Q6N021 1/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.35
ALDH1A1 P00352 2/20 0.35
DGAT1 O75907 1/20 0.33
CA12 O43570 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30

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
Acetone SCHEMBL6053753 0.79 MGAM (0.48) GAAMGAMSIMGAM2TSHR
SCHEMBL204758 0.77 GAA (0.50) GAAMGAMSIMGAM2TSHR
Acetone SCHEMBL27953895 0.76 MGAM (0.71) GAAMGAMSIMGAM2TSHR
SCHEMBL7097762 0.76 MGAM (0.39) GAAMGAMSIMGAM2TSHR
SCHEMBL14113106 0.76 MEN1 (0.42) GAAMGAMSIMGAM2TSHR
SCHEMBL27807390 0.75 GAA (0.48) GAAMGAMSIMGAM2TSHR
SCHEMBL11377580 0.73 MGAM (0.46) GAAMGAMSIMGAM2TSHR
SCHEMBL1552599 0.73 MGAM (0.46) GAAMGAMSIMGAM2TSHR
SCHEMBL7097459 0.73 MGAM (0.46) GAAMGAMSIMGAM2TSHR
SCHEMBL18130134 0.73 MGAM (0.46) GAAMGAMSIMGAM2TSHR

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-1170827-C Benzofurylpyrone derivatives ������������ʽ���� 2004-10-13 CN disclosed