SCHEMBL29130441

SCHEMBL29130441

NC(=O)C1C(=O)c2ccccc2OC1(O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.45
CYP3A4 P08684 3/20 0.43
ALOX15 P16050 2/20 0.43
MAPT P10636 4/20 0.38
HSP90AA1 P07900 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CFTR P13569 1/20 0.35
GOPC Q9HD26 1/20 0.35
ATM Q13315 1/20 0.35
CYP19A1 P11511 1/20 0.35
GLA P06280 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
PKM P14618 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
MAOB P27338 1/20 0.33
HTT P42858 1/20 0.33
HBB P68871 1/20 0.33

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
SCHEMBL29130447 0.83 ALOX15 (0.41) CASP6CYP3A4ALOX15MAPTHSP90AA1
SCHEMBL3289417 0.80 CYP3A4 (0.42) CYP3A4ALOX15MAPTHSP90AA1NPSR1
SCHEMBL7513764 0.75 CYP3A4 (0.42) CYP3A4ALOX15MAPTHSP90AA1NPSR1
SCHEMBL7518905 0.70 NPSR1 (0.41) CYP3A4ALOX15MAPTHSP90AA1NPSR1
SCHEMBL3306471 0.70 CYP19A1 (0.43) CYP3A4ALOX15MAPTCYP19A1KMT2A
SCHEMBL2337166 0.70 CYP19A1 (0.43) CYP3A4ALOX15MAPTCYP19A1KMT2A
SCHEMBL7521676 0.70 MAPT (0.43) CYP3A4ALOX15MAPTHSP90AA1NPSR1
SCHEMBL7530287 0.69 OPRD1 (0.37) CYP3A4ALOX15NPSR1ATMALDH1A1
SCHEMBL7520344 0.69 RET (0.45) CYP3A4ALOX15MAPTNPSR1KMT2A
SCHEMBL8484519 0.68 CYP19A1 (0.47) CYP3A4ALOX15MAPTCYP19A1KMT2A

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-113265433-B Bifunctional glycosyltransferase and application thereof 中国科学院分子植物科学卓越创新中心 2023-12-26 CN disclosed