SCHEMBL108954

SCHEMBL108954

CCCC(c1ccccc1)c1c[nH]c2ccccc12

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.84
FFAR1 O14842 2/20 0.84
CYP2D6 P10635 1/20 0.71
SLC6A2 P23975 1/20 0.71
SLC6A4 P31645 1/20 0.71
KCNH2 Q12809 1/20 0.71
MGAM O43451 7/20 0.57
GAA P10253 7/20 0.57
SI P14410 7/20 0.57
MGAM2 Q2M2H8 7/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 2/20 0.55
USP2 O75604 1/20 0.55
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SRC P12931 1/20 0.52
HTR2A P28223 1/20 0.51

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
SCHEMBL29863235 0.92 GPR84 (1.00) GPR84FFAR1CYP2D6SLC6A2SLC6A4
SCHEMBL5851244 0.92 GPR84 (1.00) GPR84FFAR1CYP2D6SLC6A2SLC6A4
SCHEMBL20869596 0.90 GPR84 (0.73) GPR84FFAR1CYP2D6SLC6A2SLC6A4
SCHEMBL2073813 0.84 CYP2D6 (0.67) GPR84FFAR1CYP2D6SLC6A2SLC6A4
SCHEMBL5186684 0.84 CYP2D6 (0.67) GPR84FFAR1CYP2D6SLC6A2SLC6A4
SCHEMBL2074796 0.84 CYP2D6 (0.75) GPR84FFAR1CYP2D6SLC6A2SLC6A4
SCHEMBL2073839 0.83 SLC6A4 (0.66) GPR84FFAR1CYP2D6SLC6A2SLC6A4
SCHEMBL2074218 0.83 SLC6A4 (1.00) GPR84FFAR1CYP2D6SLC6A2SLC6A4
SCHEMBL7001304 0.82 GPR84 (0.81) GPR84FFAR1CYP2D6SLC6A2SLC6A4
SCHEMBL2074908 0.82 CYP2D6 (0.77) GPR84FFAR1CYP2D6SLC6A2SLC6A4

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 10 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
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
WO-2013115959-A1 METHODS AND COMPOSITIONS FOR GROWTH OF YEAST ON ALGINATE BIO ARCHITECTURE LAB, INC. (US) 2013-08-08 WO disclosed
WO-2012103385-A2 BIOCATALYSTS SYNTHESIZING DEREGULATED CELLULASES QTEROS, INC. (US) 2012-08-02 WO disclosed
EP-2424982-A1 ADAPTING MICROORGANISMS FOR AGRICULTURAL PRODUCTS De Crecy, Eudes (US) 2012-03-07 EP disclosed
WO-2011072264-A2 METHODS AND COMPOSITIONS FOR BIOMASS TREATMENT QTEROS, INC. (US) 2011-06-16 WO disclosed
WO-2010127182-A1 ADAPTING MICROORGANISMS FOR AGRICULTURAL PRODUCTS EVOLUGATE, LLC (US) 2010-11-04 WO disclosed