SCHEMBL110045

SCHEMBL110045

CCCC(=O)CCc1cccc(C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IAPP P10997 4/20 0.58
TAAR1 Q96RJ0 1/20 0.50
CASP3 P42574 1/20 0.49
CASP7 P55210 1/20 0.49
FFAR4 Q5NUL3 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL7337631 0.93 TAAR1 (0.57) TAAR1CASP3CASP7FFAR4TDP1
SCHEMBL10694899 0.88 IAPP (0.57) IAPPTAAR1CASP3CASP7FFAR4
M-Xylene SCHEMBL28089710 0.85 ACHE (0.52) IAPPTDP1HDAC3HDAC1HDAC2
SCHEMBL5180962 0.84 CTBP2 (0.53) TAAR1CASP3CASP7TDP1L3MBTL1
SCHEMBL4659299 0.83 TAAR1 (0.59) TAAR1CASP3CASP7FFAR4TDP1
SCHEMBL24242154 0.81 IAPP (0.57) IAPPTAAR1FFAR4L3MBTL1NPC1
SCHEMBL7507667 0.81 MMP12 (0.54) TAAR1FFAR4TDP1L3MBTL1HDAC3
SCHEMBL9665124 0.81 HDAC3 (0.54) FFAR4TDP1L3MBTL1HDAC3HDAC1
SCHEMBL29842802 0.80 ALDH1A1 (0.62) TAAR1CASP3CASP7FFAR4HDAC3
SCHEMBL2027905 0.80 ALDH1A1 (0.62) TAAR1CASP3CASP7FFAR4HDAC3

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 28 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
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
WO-2015179243-A1 SUGAR SEPARATION AND PURIFICATION THROUGH FILTRATION SWEETWATER ENERGY, INC. (US) 2015-11-26 WO disclosed
EP-2836602-A1 METHODS AND SYSTEMS FOR SACCHARIFICATION OF BIOMASS Sweetwater Energy, Inc. (US) 2015-02-18 EP disclosed
WO-2014026154-A1 OPTIMIZED PRETREATMENT OF BIOMASS SWEETWATER ENERGY, INC. (US) 2014-02-13 WO disclosed
WO-2013155496-A1 METHODS AND SYSTEMS FOR SACCHARIFICATION OF BIOMASS SWEETWATER ENERGY, INC. (US) 2013-10-17 WO disclosed
WO-2013148415-A1 ENHANCED FERMENTATION FROM PRETREATMENT PRODUCTS SWEETWATER ENERGY, INC. (US) 2013-10-03 WO disclosed
WO-2013115959-A1 METHODS AND COMPOSITIONS FOR GROWTH OF YEAST ON ALGINATE BIO ARCHITECTURE LAB, INC. (US) 2013-08-08 WO disclosed
EP-2424982-A1 ADAPTING MICROORGANISMS FOR AGRICULTURAL PRODUCTS De Crecy, Eudes (US) 2012-03-07 EP disclosed
WO-2011028623-A2 MODIFIED ORGANISMS FOR IMPROVED SACCHARIFICATION OF BIOMASS QTEROS, INC. (US) 2011-03-10 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
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
EP-0668860-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 1995-08-30 EP disclosed