SCHEMBL29226554

SCHEMBL29226554

CC(=O)Oc1cc2c(cc1O)OCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.48
INSR P06213 1/20 0.47
IGF1R P08069 1/20 0.47
CYP3A4 P08684 2/20 0.45
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
GAPDH P04406 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 1/20 0.41
SRD5A2 P31213 1/20 0.40
APP P05067 1/20 0.40
MAPT P10636 1/20 0.40
CYP19A1 P11511 1/20 0.40
CTSL P07711 1/20 0.39

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
SCHEMBL28842281 0.84 PPARG (0.44) INSRIGF1RCYP3A4ALDH1A1L3MBTL1
SCHEMBL10687082 0.82 NQO1 (0.58) NQO1INSRIGF1RKMT2AALDH1A1
SCHEMBL27673460 0.81 INSR (0.49) NQO1INSRIGF1RCYP3A4KMT2A
SCHEMBL8111501 0.77 LMNA (0.55) CYP3A4ALDH1A1LMNAHPGDMAPK1
SCHEMBL1276647 0.77 INSR (0.46) NQO1INSRIGF1RCYP3A4KMT2A
SCHEMBL30402519 0.76 MEN1 (0.51) NQO1CYP3A4KMT2AMEN1ALDH1A1
SCHEMBL1852524 0.76 MEN1 (0.51) NQO1CYP3A4KMT2AMEN1ALDH1A1
SCHEMBL1855445 0.74 LMNA (0.62) CYP3A4KMT2AMEN1GAPDHALDH1A1
SCHEMBL10054017 0.72 ELANE (0.43) NQO1INSRIGF1RCYP3A4KMT2A
SCHEMBL9153664 0.72 INSR (0.48) INSRIGF1RCYP3A4KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924306-A Full-synthesis preparation method of wedelolactone or demethylwedelolactone 中国药科大学 2024-04-26 CN claimed
CN-117924306-A Full-synthesis preparation method of wedelolactone or demethylwedelolactone 中国药科大学 2024-04-26 CN disclosed