Duroquinone

Duroquinone

SCHEMBL21767804

CC1=C(C)C(=O)C(C)=C(C)C1=O.CCO

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Duroquinone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
DUSP3 P51452 1/20 0.35
S100A4 P26447 2/20 0.31
CDC25A P30304 2/20 0.31
CDC25B P30305 2/20 0.31
MAOA P21397 2/20 0.31
MAOB P27338 1/20 0.31
ALOX15 P16050 1/20 0.31
LMNA P02545 1/20 0.30
PGR P06401 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
TBXA2R P21731 1/20 0.30
MAPK1 P28482 1/20 0.30
AVPR2 P30518 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTR2B P41595 1/20 0.30

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
Duroquinone SCHEMBL58325 0.80 MAOA (0.38) ALDH1A1DUSP3CDC25ACDC25BMAOA
Duroquinone SCHEMBL11473070 0.76 MAOA (0.36) DUSP3MAOAMAOB
SCHEMBL10446161 0.76 ALOX15 (0.38) CDC25BMAOAALOX15LMNAPGR
SCHEMBL12744504 0.73 ALOX15 (0.32) DUSP3CDC25BMAOAALOX15LMNA
Duroquinone SCHEMBL9134466 0.71 MAOA (0.31) MAOAMAOB
SCHEMBL10295726 0.71 ALOX15 (0.35) ALDH1A1CDC25BALOX15MAPTTDP1
Alcohol SCHEMBL27641270 0.71
Duroquinone SCHEMBL11701942 0.67 MAOA (0.38) DUSP3CDC25ACDC25BMAOAMAOB
Alcohol SCHEMBL27865039 0.66
Alcohol SCHEMBL2464657 0.66 TSHR (1.00) ALDH1A1TSHRLMNATDP1

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
US-11713479-B2 Method for determining whether or not test sample contains phytopathogenic fungus PANASONIC INTRILECTUAL PROPERTY MANAGEMENT CO., LTD. (JP) 2023-08-01 US disclosed
CN-115589740-A Quantum dot device and preparation method thereof TCL科技集团股份有限公司 2023-01-10 CN disclosed
EP-3617319-B1 METHOD FOR DETERMINING PRESENCE OR ABSENCE OF PHYTOPATHOGENIC MICROBE IN TEST SAMPLE PANASONIC IP MAN CO LTD (JP) 2022-12-07 EP disclosed
US-20210340588-A1 METHOD FOR DETERMINING WHETHER OR NOT TEST SAMPLE CONTAINS PHYTOPATHOGENIC FUNGUS PANASONIC IP MAN CO LTD (JP) 2021-11-04 US disclosed
EP-3617319-A1 METHOD FOR DETERMINING PRESENCE OR ABSENCE OF PHYTOPATHOGENIC MICROBE IN TEST SAMPLE Panasonic Intellectual Property Management Co., Ltd. (JP) 2020-03-04 EP disclosed
CN-110291204-A Test sample whether the determination method containing plant-pathogenic bacterium 松下知识产权经营株式会社 2019-09-27 CN disclosed