SCHEMBL1668185

SCHEMBL1668185

CC(=O)C(O)CCc1c[nH]c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.59
CYP2C19 P33261 2/20 0.59
MEN1 O00255 2/20 0.59
LMNA P02545 2/20 0.59
KMT2A Q03164 2/20 0.59
PKM P14618 1/20 0.59
TSHR P16473 1/20 0.59
BLM P54132 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 5/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
TP53 P04637 1/20 0.55
CYP2C9 P11712 1/20 0.55
ALOX15 P16050 1/20 0.55
ALOX12 P18054 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MAPT P10636 4/20 0.54
KDM4E B2RXH2 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54

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
SCHEMBL14828732 0.85 SMN1; SMN2 (0.75) CYP1A2CYP2C19MEN1LMNAKMT2A
SCHEMBL23897642 0.84 MAPT (0.59) CYP1A2CYP2C19MEN1LMNAKMT2A
SCHEMBL11279526 0.84 MAPT (0.59) CYP1A2CYP2C19MEN1LMNAKMT2A
SCHEMBL5738746 0.82 CYP3A4 (0.65) CYP1A2CYP2C19MEN1KMT2ASMN1; SMN2
SCHEMBL1462665 0.79 GPR84 (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7969785 0.78 HTR2A (0.62) CYP1A2CYP2C19MEN1LMNAKMT2A
SCHEMBL1250315 0.78 MAPT (0.66) CYP1A2CYP2C19MEN1LMNAKMT2A
SCHEMBL29611317 0.78 MAPT (0.66) CYP1A2CYP2C19MEN1LMNAKMT2A
SCHEMBL7602497 0.78 MAPT (0.59) CYP1A2CYP2C19MEN1LMNAKMT2A
SCHEMBL10644232 0.78 CYP1A2 (0.53) CYP1A2CYP2C19MEN1LMNAKMT2A

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 18 patents. 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
EP-2812437-A1 ENHANCING FERMENTATION OF STARCH-AND SUGAR-BASED FEEDSTOCKS Sweetwater Energy, Inc. (US) 2014-12-17 EP disclosed
WO-2013120035-A1 ENHANCING FERMENTATION OF STARCH-AND SUGAR-BASED FEEDSTOCKS SWEETWATER ENERGY, INC. (US) 2013-08-15 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-2406381-A1 PRODUCTION OF FERMENTIVE END PRODUCTS FROM CLOSTRIDIUM SP. Qteros, Inc. (US) 2012-01-18 EP disclosed
WO-2012003402-A2 COMPOSITIONS AND METHODS FOR CULTURING MICROORGANISMS HELIOBIOSYS, INC. (US) 2012-01-05 WO disclosed
WO-2011137401-A2 REDIRECTED BIOENERGETICS IN RECOMBINANT CELLULOLYTIC CLOSTRIDIUM MICROORGANISMS QTEROS, INC. (US) 2011-11-03 WO disclosed
WO-2011106576-A2 METHODS AND COMPOSITIONS FOR ENHANCED ENZYME ACTIVITY IN FERMENTING MICROORGANISMS QTEROS, INC. (US) 2011-09-01 WO disclosed
WO-2011088422-A2 BIOFUEL PRODUCTION USING BIOFILM IN FERMENTATION QTEROS, INC. (US) 2011-07-21 WO disclosed
WO-2011081658-A2 METHODS AND COMPOSITIONS FOR PRODUCING CHEMICAL PRODUCTS FROM C. PHYTOFERMENTANTS QTEROS, INC. (US) 2011-07-07 WO disclosed
WO-2011072264-A2 METHODS AND COMPOSITIONS FOR BIOMASS TREATMENT QTEROS, INC. (US) 2011-06-16 WO disclosed
WO-2010104896-A9 PRODUCTION OF FERMENTIVE END PRODUCTS FROM CLOSTRIDIUM SP. QTEROS, INC. (US) 2011-04-14 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