SCHEMBL843980

SCHEMBL843980

CCC(C)C(=O)Oc1ccc(CCO)cc1C(C)c1cc(CCO)ccc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.38
ADRA2A P08913 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2C P18825 1/20 0.38
DRD1 P21728 1/20 0.38
ADRA1A P35348 1/20 0.38
DRD3 P35462 1/20 0.38
ALOX5 P09917 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
BACE1 P56817 1/20 0.38
ALOX15 P16050 3/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
PTGS2 P35354 2/20 0.34
THRA P10827 2/20 0.33

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
SCHEMBL824536 0.82 ALOX15 (0.47) ALOX5KDM4EALOX15IAPP
SCHEMBL824495 0.81 THRB (0.40) ADRB2ADRA2ADRD2ADRA2CDRD1
SCHEMBL841393 0.76 RORC (0.41) DRD1DRD3GAAMAPT
SCHEMBL27799667 0.72 PTGS2 (0.59) ALDH1A1CYP4F2CYP4A11PTGS2THRA
SCHEMBL27854865 0.70 ADRB2 (0.37) ADRB2ADRA2ADRD2ADRA2CDRD1
SCHEMBL51014 0.70 CNR1 (0.60) DRD2DRD1ADRA1ADRD3ALOX5
SCHEMBL28111862 0.69 KMT2A (0.38) ADRB2ADRA2ADRD2ADRA2CDRD1
SCHEMBL10084900 0.68 CYSLTR2 (0.42) GAA
SCHEMBL28111866 0.68 KMT2A (0.35) ADRB2ADRA2ADRD2ADRA2CDRD1
SCHEMBL28122720 0.68 KMT2A (0.36) ADRB2ADRA2ADRD2ADRA2CDRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8142864-B2 Cellulose ester pellets, cellulose ester film, manufacturing method of cellulose ester film, polarizing plate, and liquid crystal display KONICA MINOLTA OPTO, INC. (JP) 2012-03-27 US disclosed
US-20100047480-A1 CELLULOSE ESTER PELLETS, CELLULOSE ESTER FILM, MANUFACTURING METHOD OF CELLULOSE ESTER FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY C/O KONICA MINOLTA OPTO, INC. (JP) 2010-02-25 US disclosed