SCHEMBL163760

SCHEMBL163760

CCC(Oc1ccc(CCC(C)C)cc1CCC(C)C)C([NH])=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
FFAR4 Q5NUL3 3/20 0.36
ADRB2 P07550 1/20 0.35
ADRA2A P08913 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2C P18825 1/20 0.35
DRD1 P21728 1/20 0.35
ADRA1A P35348 1/20 0.35
DRD3 P35462 1/20 0.35
AKT1 P31749 1/20 0.34
FFAR1 O14842 1/20 0.34
STAT3 P40763 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
ACACB O00763 1/20 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
SCHEMBL718260 0.82 HTT (0.44) ALDH1A1PPARDPPARAPPARG
SCHEMBL6852777 0.77 TP53 (0.40) ALOX5NFKB1NFKB2RELAFFAR4
SCHEMBL9068881 0.75 PPARA (0.44) PPARAPPARG
SCHEMBL5145815 0.73 STAT3 (0.50) ALOX5NFKB1NFKB2RELAADRA1A
SCHEMBL5145810 0.71 STAT3 (0.38) ALOX5NFKB1NFKB2RELAADRB2
SCHEMBL9650711 0.71 STAT3 (0.38) ALOX5NFKB1NFKB2RELAADRB2
SCHEMBL10396659 0.70 PPARA (0.47) ALDH1A1PPARDPPARAPPARG
SCHEMBL174290 0.70 MAPT (0.40) ALOX5NFKB1NFKB2RELAFFAR4
Hydrochloric Acid SCHEMBL10336495 0.69 PPARA (0.46) ALDH1A1PPARDPPARAPPARG
SCHEMBL28381704 0.69 PPARA (0.49) ALDH1A1PPARDPPARAPPARG

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
EP-2611872-A1 INKJET PRINTING FLUID Eastman Kodak Company (US) 2013-07-10 EP disclosed
WO-2012030546-A1 INKJET PRINTING FLUID EASTMAN KODAK COMPANY (US) 2012-03-08 WO disclosed