SCHEMBL28542001

SCHEMBL28542001

CCC(=O)O[C@@H]1COc2cc(O)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
ALOX15 P16050 2/20 0.39
MAPK1 P28482 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PTPN1 P18031 1/20 0.37
TMEM97 Q5BJF2 2/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2B P41595 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL3039478 0.84 CYP3A4 (0.41) CYP3A4MEN1MAPTALOX15MAPK1
SCHEMBL12474240 0.84 CYP3A4 (0.41) CYP3A4MEN1MAPTALOX15MAPK1
SCHEMBL205235 0.84 CYP3A4 (0.41) CYP3A4MEN1MAPTALOX15MAPK1
SCHEMBL19719096 0.81 HTR2B (0.41) MEN1KMT2AHTR2BHPGD
SCHEMBL7125261 0.73 MAPT (0.56) CYP3A4MEN1MAPTALOX15MAPK1
SCHEMBL9979486 0.73 FFAR1 (0.47)
SCHEMBL9277990 0.72 FFAR1 (0.53)
SCHEMBL435248 0.72 FFAR1 (0.53)
SCHEMBL9275740 0.72 FFAR1 (0.53)
SCHEMBL9749071 0.71 CYP3A4 (0.44) CYP3A4MEN1MAPTALOX15MAPK1

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-112480047-B Compound with blood glucose reducing and lipid regulating effects, preparation and application thereof 云南省第二人民医院 2023-06-02 CN disclosed
CN-112480047-A Compound with blood sugar reducing and lipid regulating effects, preparation and application thereof 云南省第二人民医院 2021-03-12 CN disclosed