SCHEMBL29130447

SCHEMBL29130447

O=C(CO)C1C(=O)c2ccccc2OC1(O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 4/20 0.39
HSP90AA1 P07900 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 1/20 0.36
CASP6 P55212 1/20 0.36
GLA P06280 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
PKM P14618 2/20 0.35
KMT2A Q03164 1/20 0.35
MAOB P27338 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SLC25A5 P05141 2/20 0.33
CYP19A1 P11511 1/20 0.33
CFTR P13569 1/20 0.33
GOPC Q9HD26 1/20 0.33
STK17B O94768 1/20 0.32

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
SCHEMBL29130441 0.83 CASP6 (0.45) ALOX15CYP3A4MAPTHSP90AA1NPSR1
SCHEMBL3289417 0.78 CYP3A4 (0.42) ALOX15CYP3A4MAPTHSP90AA1NPSR1
SCHEMBL7513764 0.76 CYP3A4 (0.42) ALOX15CYP3A4MAPTHSP90AA1NPSR1
SCHEMBL7518905 0.70 NPSR1 (0.41) ALOX15CYP3A4MAPTHSP90AA1NPSR1
SCHEMBL27614200 0.69 RET (0.47) ALOX15CYP3A4MAPTRAB9AMAOB
SCHEMBL7521676 0.68 MAPT (0.43) ALOX15CYP3A4MAPTHSP90AA1NPSR1
SCHEMBL2337166 0.68 CYP19A1 (0.43) ALOX15CYP3A4MAPTSMN1; SMN2RAB9A
SCHEMBL3306471 0.68 CYP19A1 (0.43) ALOX15CYP3A4MAPTSMN1; SMN2RAB9A
SCHEMBL7516218 0.68 MEN1 (0.40) ALOX15CYP3A4MAPTHSP90AA1NPSR1
SCHEMBL7520344 0.67 RET (0.45) ALOX15CYP3A4MAPTNPSR1SMN1; SMN2

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-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
CN-113136373-B Carbonoside glycosyltransferase and application thereof 中国科学院分子植物科学卓越创新中心 2023-12-08 CN disclosed