SCHEMBL9027595

SCHEMBL9027595

C=CCC1=C(C)C(=O)C(C)=CC1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
USP2 O75604 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
BLM P54132 2/20 0.34
KMT2A Q03164 2/20 0.34
PLIN1 O60240 1/20 0.34
NR1I2 O75469 1/20 0.34
GSR P00390 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CYP2D6 P10635 1/20 0.34
HSPD1 P10809 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL24071118 0.79 MAOB (0.33) MEN1USP2ALDH1A1GAAMAPT
SCHEMBL28664823 0.79 MAOB (0.33) MEN1USP2ALDH1A1GAAMAPT
SCHEMBL24071110 0.78 MAOB (0.46) MEN1ALDH1A1MAPTMAPK1BLM
SCHEMBL3171268 0.73 MAOB (0.33) MAOBNPSR1
SCHEMBL24071088 0.72 MAPT (0.39) MEN1USP2ALDH1A1GAAMAPT
SCHEMBL24071117 0.71 ALDH1A1 (0.38) MEN1USP2ALDH1A1GAAMAPT
SCHEMBL24071111 0.70 MAOB (0.68) MAPTMAPK1LMNAADORA3MAOB
SCHEMBL14233618 0.69 ALDH1A1 (0.41) MEN1USP2ALDH1A1GAAMAPT
SCHEMBL28910464 0.69 MAOB (0.68) MAPTMAPK1LMNAADORA3MAOB
SCHEMBL10929858 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117096428-A Application of novel organic alkoxide agglomerate and solid electrolyte composition 上海科技大学 2023-11-21 CN disclosed
CN-115703697-A Novel organic alkoxide agglomerate and preparation method and application thereof 上海科技大学 2023-02-17 CN disclosed
WO-2023016459-A1 NOVEL ORGANIC ALKOXIDE AGGLOMERATE, AND PREPARATION METHOD THEREFOR AND APPLICATION AND THEREOF 上海科技大学 2023-02-16 WO disclosed
CN-115697956-A Preparation method of quinone compound 上海科技大学 2023-02-03 CN disclosed
CN-113735696-B Preparation method of quinone compound 上海科技大学 2022-11-08 CN disclosed
CN-113735696-A Preparation method of quinone compound 上海科技大学 2021-12-03 CN disclosed
WO-2021238947-A1 METHOD FOR PREPARING QUINONE COMPOUND 上海科技大学 2021-12-02 WO disclosed
EP-0445827-B1 4-Hydroxytetrahydropyran-2-one derivatives useful as cholesterol and lipid reducing agents FUJIREBIO KK (JP) 1996-09-25 EP disclosed
US-5149834-A Anticholesterol agent and enzyme inhibitors, for curing arteriosclerosis FUJIREBIO INC. (JP) 1992-09-22 US disclosed
EP-0445827-A2 4-Hydroxytetrahydropyran-2-one derivatives useful as cholesterol and lipid reducing agents FUJIREBIO INC. (JP) 1991-09-11 EP disclosed