SCHEMBL108142

SCHEMBL108142

CC(O)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.50
LMNA P02545 3/20 0.50
CHRM2 P08172 2/20 0.50
ADRA1A P35348 2/20 0.50
HRH1 P35367 2/20 0.50
VKORC1 Q9BQB6 1/20 0.50
CACNA1F O60840 1/20 0.50
CHRM1 P11229 1/20 0.50
ADRA2B P18089 1/20 0.50
CHRM3 P20309 1/20 0.50
OPRK1 P41145 1/20 0.50
CACNA1D Q01668 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KCNH2 Q12809 1/20 0.50
CACNA1S Q13698 1/20 0.50
CACNA1C Q13936 1/20 0.50
SCN5A Q14524 1/20 0.50
TRPA1 O75762 3/20 0.48
ADRA2C P18825 2/20 0.48
KDM4E B2RXH2 2/20 0.48

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
SCHEMBL1081906 0.89 CYP2C9 (0.48) CYP2C9LMNACHRM2ADRA1AHRH1
SCHEMBL8775798 0.83 SMN1; SMN2 (0.58) CYP2C9LMNASLC6A3KCNH2KDM4E
SCHEMBL4582172 0.83 TRPA1 (0.63) LMNACHRM2ADRA1ATRPA1ADRA2C
SCHEMBL28853932 0.83 KDM4E (0.58) CYP2C9LMNACHRM2ADRA1ASLC6A3
SCHEMBL8425086 0.83 LMNA (0.60) LMNATRPA1ADRA2CKDM4EADRA2A
SCHEMBL2418955 0.83 TRPA1 (0.63) LMNACHRM2ADRA1ATRPA1ADRA2C
SCHEMBL75953 0.83 LMNA (0.60) LMNATRPA1ADRA2CKDM4EADRA2A
SCHEMBL13619949 0.83 LMNA (0.60) LMNATRPA1ADRA2CKDM4EADRA2A
SCHEMBL3097213 0.83 LMNA (0.60) LMNATRPA1ADRA2CKDM4EADRA2A
Ammonia Solution, Strong SCHEMBL3568139 0.81 LMNA (0.58) LMNASLC6A3KCNH2TRPA1ADRA2C

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2195440-A2 BIOFUEL PRODUCTION Bio Architecture Lab, Inc. (US) 2010-06-16 EP claimed
WO-2009046375-A2 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-04-09 WO claimed
WO-2009046370-A2 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-04-09 WO claimed
EP-3519567-A1 ENGINEERED MICROORGANISMS FOR PRODUCTION OF COMMODITY CHEMICALS AND CELLULAR BIOMASS The Regents of The University of California (US) 2019-08-07 EP disclosed
CN-104557464-B A kind of tertiary alcohols compound and preparation method thereof 上海生农生化制品有限公司 2019-05-07 CN disclosed
WO-2018067458-A1 ENGINEERED MICROORGANISMS FOR PRODUCTION OF COMMODITY CHEMICALS AND CELLULAR BIOMASS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-04-12 WO disclosed
EP-3230463-A1 RAPID PRETREATMENT Sweetwater Energy, Inc. (US) 2017-10-18 EP disclosed
WO-2016094594-A1 RAPID PRETREATMENT SWEETWATER ENERGY, INC. (US) 2016-06-16 WO disclosed
EP-2872642-A1 PROCESS FOR USING TOBACCO Kind Consumer Limited (GB) 2015-05-20 EP disclosed
EP-2809790-A2 MODIFIED PHOTOSYNTHETIC MICROORGANISMS FOR CONTINUOUS PRODUCTION OF CARBON-CONTAINING COMPOUNDS Matrix Genetics, LLC (US) 2014-12-10 EP disclosed
WO-2014026154-A1 OPTIMIZED PRETREATMENT OF BIOMASS SWEETWATER ENERGY, INC. (US) 2014-02-13 WO disclosed
WO-2011044279-A2 MICROBIAL SYSTEMS FOR PRODUCING COMMODITY CHEMICALS BIO ARCHITECTURE LAB, INC. (US) 2011-04-14 WO disclosed
WO-2010104896-A9 PRODUCTION OF FERMENTIVE END PRODUCTS FROM CLOSTRIDIUM SP. QTEROS, INC. (US) 2011-04-14 WO disclosed
WO-2010127182-A1 ADAPTING MICROORGANISMS FOR AGRICULTURAL PRODUCTS EVOLUGATE, LLC (US) 2010-11-04 WO disclosed
EP-2245162-A2 ISOLATED ALCOHOL DEHYDROGENASE ENZYMES AND USES THEREOF Bio Architecture Lab, Inc. (US) 2010-11-03 EP disclosed
WO-2010104896-A1 PRODUCTION OF FERMENTIVE END PRODUCTS FROM CLOSTRIDIUM SP. QTEROS, INC. (US) 2010-09-16 WO disclosed
WO-2009097346-A2 ISOLATED ALCOHOL DEHYDROGENASE ENZYMES AND USES THEREOF BIO ARCHITECTURE LAB, INC. (US) 2009-08-06 WO disclosed
WO-2009046370-A2 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-04-09 WO disclosed
US-4049827-A Method of treating arrhythmia with diarylbutanolamines ELI LILLY AND COMPANY (US) 1977-09-20 US disclosed
US-4001328-A ANTIARRHYTHMIA AGENTS, 4,4-DIPHENYL-2-HYDROXY-BUTYLAMINES ELI LILLY AND COMPANY (US) 1977-01-04 US disclosed