SCHEMBL1760433

SCHEMBL1760433

CC(C)c1c(O)ccc(O)c1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.44
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43
HIF1A Q16665 5/20 0.42
ALOX12 P18054 4/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
HTT P42858 1/20 0.42
AHR P35869 1/20 0.41
RNASEH1 O60930 1/20 0.39
LMNA P02545 4/20 0.39
CYP3A4 P08684 4/20 0.39
SLC6A2 P23975 3/20 0.39
HTR2B P41595 3/20 0.39
HPGD P15428 3/20 0.39
PTGS1 P23219 2/20 0.39
CYP1A2 P05177 2/20 0.39
BLM P54132 2/20 0.39
TSHR P16473 2/20 0.39
FAAH O00519 1/20 0.39

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
SCHEMBL30360391 1.00 TYR (0.44) TYRGABRA1GABRB2HIF1AALOX12
SCHEMBL25229039 0.87 TRPA1 (0.46) TYRGABRA1GABRB2HIF1AALOX12
SCHEMBL478565 0.87 LMNA (0.46) TYRGABRA1GABRB2HIF1AALOX12
SCHEMBL13773184 0.85 RNASEH1 (0.45) TYRGABRA1GABRB2HIF1AALOX12
SCHEMBL11249878 0.84 TYR (0.35) TYRGABRA1GABRB2HIF1AALOX12
SCHEMBL4760454 0.84 CYP3A4 (0.42) TYRGABRA1GABRB2HIF1AALOX12
SCHEMBL6663974 0.84 ALDH1A1 (0.48) TYRGABRA1GABRB2HIF1AALOX12
SCHEMBL21195120 0.83 TRPA1 (0.39) TYRGABRA1GABRB2HIF1AALOX12
Benzene SCHEMBL1834239 0.83 GABRA1 (0.48) TYRGABRA1GABRB2HIF1AALOX12
SCHEMBL725385 0.81 GABRA1 (0.52) TYRGABRA1GABRB2HIF1AALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115960026-A Preparation method of organic peroxide 佳化化学(上海)有限公司 2023-04-14 CN claimed
US-4323714-A Alkylation of hydroxy-substituted aromatic compounds UOP INC. (US) 1982-04-06 US claimed
EP-4725060-A1 QUINONE TYPE MOLECULES FOR ZINC-ION AQUEOUS BATTERIES Centre National de la Recherche Scientifique (FR) 2026-04-15 EP disclosed
WO-2024251662-A1 QUINONE TYPE MOLECULES FOR ZINC-ION AQUEOUS BATTERIES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2024-12-12 WO disclosed
EP-4475229-A1 QUINONE-TYPE MOLECULES FOR ZINC-ION AQUEOUS BATTERIES Centre National de la Recherche Scientifique (FR) 2024-12-11 EP disclosed
CN-115960026-A Preparation method of organic peroxide 佳化化学(上海)有限公司 2023-04-14 CN disclosed
US-8519726-B2 Sensor having integrated electrodes and method for detecting analytes in fluids SUN YIZHONG (US) 2013-08-27 US disclosed
US-8449824-B2 Sensor instrument system including method for detecting analytes in fluids SUN YIZHONG (US) 2013-05-28 US disclosed
EP-2499676-A1 SOLAR CELL MODULES WITH POLYMER ENCAPSULANT COMPRISING REDUCING AGENTS E. I. du Pont de Nemours and Company (US) 2012-09-19 EP disclosed
US-20110114159-A1 SOLAR CELL MODULES WITH POLYMER ENCAPSULANT COMPRISING REDUCING AGENTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-05-19 US disclosed
US-20100188110-A1 Sensor having integrated electrodes and method for detecting analytes in fluids SUN YIZHONG 2010-07-29 US disclosed
US-4323714-A Alkylation of hydroxy-substituted aromatic compounds UOP INC. (US) 1982-04-06 US disclosed