SCHEMBL174290

SCHEMBL174290

CC(C)CCc1ccc(OCC[O])c(CCC(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
HTT P42858 3/20 0.40
MAPK1 P28482 2/20 0.40
APAF1 O14727 2/20 0.40
THRB P10828 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAD52 P43351 2/20 0.40
NPC1 O15118 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
ALOX5 P09917 2/20 0.37
POLB P06746 2/20 0.37
TP53 P04637 1/20 0.37
PTGES O14684 1/20 0.37
PPARG P37231 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL165187 0.85 MAPT (0.40) MAPTHTTMAPK1APAF1THRB
SCHEMBL4795991 0.85 SIGMAR1 (0.39) MAPTHTTMAPK1APAF1THRB
SCHEMBL8683910 0.79 KCNH2 (0.45) HTTSMN1; SMN2SIGMAR1POLBPPARG
SCHEMBL5145815 0.79 STAT3 (0.50) SIGMAR1ALOX5POLBKDM4ENFKB1
SCHEMBL6852777 0.78 TP53 (0.40) L3MBTL1ALOX5TP53KDM4EALDH1A1
SCHEMBL5145810 0.78 STAT3 (0.38) SIGMAR1ALOX5NFKB1NFKB2RELA
SCHEMBL9650711 0.78 STAT3 (0.38) SIGMAR1ALOX5NFKB1NFKB2RELA
SCHEMBL2911499 0.76 HTT (0.66) MAPTHTTMAPK1APAF1THRB
SCHEMBL178248 0.72 ADRB2 (0.46) MAPTHTTL3MBTL1SMN1; SMN2NPSR1
SCHEMBL8684008 0.71 GRIN2D (0.43) MAPTHTTMAPK1APAF1THRB

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