SCHEMBL28636154

SCHEMBL28636154

COC1(c2ccccc2)COc2cc(O)cc(O)c2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
CYP1A1 P04798 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP1B1 Q16678 3/20 0.39
CYP19A1 P11511 3/20 0.39
CYP3A4 P08684 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 3/20 0.37
PNLIP P16233 1/20 0.37
XDH P47989 3/20 0.36
POLB P06746 2/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
BLM P54132 1/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL3937086 0.91 MAOA (0.41) MAPTCYP1A1CYP1A2CYP1B1CYP19A1
SCHEMBL28636824 0.81 MIF (0.41) MAPTCYP19A1MEN1KMT2AALDH1A1
SCHEMBL571667 0.78 CYP19A1 (0.41) MAPTCYP1A1CYP1A2CYP1B1CYP19A1
SCHEMBL4286973 0.74 KDM4E (0.42) CYP19A1HSD17B10ALDH1A1MAOBKDM4E
SCHEMBL2856269 0.74 PKM (0.39) MAPTCYP19A1CYP3A4MEN1KMT2A
SCHEMBL27586967 0.73 ALDH1A1 (0.41) MAPTCYP1A1CYP1A2CYP1B1CYP19A1
SCHEMBL8572826 0.72 CYP19A1 (0.37) MAPTCYP1A1CYP1A2CYP1B1CYP19A1
SCHEMBL8575536 0.72 CYP19A1 (0.37) MAPTCYP1A1CYP1A2CYP1B1CYP19A1
SCHEMBL911922 0.70 ALDH1A1 (0.44) MAPTCYP1A1CYP1A2CYP1B1CYP19A1
SCHEMBL20550365 0.69 MAOA (0.45) MAPTCYP1A1CYP1A2CYP1B1CYP19A1

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-113512018-B Flavonoid compound and preparation method and application thereof 合肥工业大学 2023-07-18 CN disclosed
CN-113512018-A Flavonoid compound and preparation method and application thereof 合肥工业大学 2021-10-19 CN disclosed