SCHEMBL106905

SCHEMBL106905

CCC(=O)C(C)Cc1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.52
SLC6A2 P23975 1/20 0.52
ESR1 P03372 8/20 0.50
ESR2 Q92731 8/20 0.50
SLC7A5 Q01650 1/20 0.47
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FOLH1 Q04609 1/20 0.43
MME P08473 1/20 0.42
ACE P12821 1/20 0.42
CPA1 P15085 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
CA2 P00918 1/20 0.41
CAMK2A Q9UQM7 1/20 0.41

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
SCHEMBL5800607 0.85 ACACB (0.44) ESR1MMEACE
SCHEMBL8042832 0.83 NPC1 (0.43) TAAR1SLC6A2
SCHEMBL5971811 0.83 TRPA1 (0.50) MMECPA1
SCHEMBL31112245 0.82 HPGD (0.54) TAAR1SLC7A5
SCHEMBL13545160 0.82 HPGD (0.54) TAAR1SLC7A5
SCHEMBL11308492 0.82 ESR1 (0.50) TAAR1SLC6A2ESR1ESR2SLC7A5
SCHEMBL7753247 0.82 TAAR1 (0.57) TAAR1SLC6A2ESR1ESR2SLC7A5
SCHEMBL107523 0.81 ESR1 (0.49) TAAR1SLC6A2ESR1ESR2SLC7A5
SCHEMBL19334004 0.80 ALDH1A1 (0.48) GAAMAPTSMN1; SMN2ACE
SCHEMBL25774092 0.80 KDM4E (0.41) ESR1GAAMAPTMMEACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-2013115959-A1 METHODS AND COMPOSITIONS FOR GROWTH OF YEAST ON ALGINATE BIO ARCHITECTURE LAB, INC. (US) 2013-08-08 WO disclosed
WO-2013085555-A2 MODULATION OF FERMENTATION PRODUCTS THROUGH VITAMIN SUPPLEMENTATION QTEROS, INC. (US) 2013-06-13 WO disclosed
WO-2012103385-A2 BIOCATALYSTS SYNTHESIZING DEREGULATED CELLULASES QTEROS, INC. (US) 2012-08-02 WO disclosed
WO-2012068310-A2 COMPOSITIONS AND METHODS FOR IMPROVED SACCHARIFICATION OF GENETICALLY MODIFIED PLANT-DERIVED BIOMASS QTEROS, INC. (US) 2012-05-24 WO disclosed
WO-2012068537-A2 NEW BIOCATALYSTS AND PRIMERS FOR PRODUCTION OF CHEMICALS QTEROS, INC. (US) 2012-05-24 WO disclosed
EP-2424982-A1 ADAPTING MICROORGANISMS FOR AGRICULTURAL PRODUCTS De Crecy, Eudes (US) 2012-03-07 EP disclosed
WO-2012003402-A2 COMPOSITIONS AND METHODS FOR CULTURING MICROORGANISMS HELIOBIOSYS, INC. (US) 2012-01-05 WO disclosed
WO-2011106576-A2 METHODS AND COMPOSITIONS FOR ENHANCED ENZYME ACTIVITY IN FERMENTING MICROORGANISMS QTEROS, INC. (US) 2011-09-01 WO disclosed
WO-2011081658-A2 METHODS AND COMPOSITIONS FOR PRODUCING CHEMICAL PRODUCTS FROM C. PHYTOFERMENTANTS QTEROS, INC. (US) 2011-07-07 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
EP-2195440-A2 BIOFUEL PRODUCTION Bio Architecture Lab, Inc. (US) 2010-06-16 EP 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
WO-2009046375-A2 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-04-09 WO disclosed