SCHEMBL29129672

SCHEMBL29129672

CCc1ccccc1-c1cc(=O)c2c(O)c(O)c(O)c(O)c2o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
KMT2A Q03164 4/20 0.55
KDM4E B2RXH2 3/20 0.55
GAA P10253 3/20 0.55
RECQL P46063 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
POLB P06746 2/20 0.55
INPPL1 O15357 1/20 0.55
ALPL P05186 1/20 0.55
ALPI P09923 1/20 0.55
ALPG P10696 1/20 0.55
PKM P14618 1/20 0.55
APEX1 P27695 1/20 0.55
BLM P54132 1/20 0.55
MCL1 Q07820 1/20 0.55
PFKFB3 Q16875 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CDK1 P06493 5/20 0.50
CCNB1 P14635 5/20 0.50
ACHE P22303 1/20 0.50

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
SCHEMBL27997244 0.84 MAPT (0.54) MAPTKMT2AKDM4EGAARECQL
SCHEMBL28058613 0.82 CYP1A1 (0.50) MAPTKMT2AKDM4EGAARECQL
SCHEMBL28666571 0.82 KMT2A (0.64) MAPTKMT2AKDM4EGAARECQL
SCHEMBL27974348 0.77 MAPT (0.77) MAPTKMT2AKDM4EGAARECQL
SCHEMBL3190273 0.74 KMT2A (0.58) MAPTKMT2AKDM4EGAARECQL
SCHEMBL29129658 0.73 HPGD (0.61) MAPTKMT2AKDM4EGAARECQL
SCHEMBL8105644 0.73 MAPKAPK2 (0.46) MAPTKMT2ATDP1POLBALDH1A1
SCHEMBL27806529 0.72 HPGD (0.67) MAPTKMT2AKDM4ERECQLPOLB
SCHEMBL11035644 0.72 HPGD (0.63) MAPTKMT2AKDM4EGAARECQL
SCHEMBL27775457 0.71 ALDH1A1 (0.65) MAPTKMT2AKDM4EGAARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117137981-A Activation of AMPK by agilawood extract 中国中医科学院中药研究所 2023-12-01 CN claimed
CN-117018091-A Activation of AMPK by Phoebe cheilis extract 中国中医科学院中药研究所 2023-11-10 CN claimed
CN-117250298-A Construction method of liquid fingerprint of agilawood and fingerprint thereof 中国中医科学院中药研究所 2023-12-19 CN disclosed
CN-117137981-A Activation of AMPK by agilawood extract 中国中医科学院中药研究所 2023-12-01 CN disclosed
CN-117017972-A Activation of AMPK by lignum Aquilariae Resinatum component 中国中医科学院中药研究所 2023-11-10 CN disclosed
CN-117018091-A Activation of AMPK by Phoebe cheilis extract 中国中医科学院中药研究所 2023-11-10 CN disclosed