SCHEMBL1886128

SCHEMBL1886128

CC(=O)OC(C)=O.CCN(CC)CC.CCN(CC)CC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
TSHR P16473 2/20 0.59
TDP1 Q9NUW8 3/20 0.42
HSD17B10 Q99714 3/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
FFAR3 O14843 1/20 0.35
TRPA1 O75762 1/20 0.33
SOAT1 P35610 1/20 0.33
PAOX Q6QHF9 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL1886127 1.00 ALDH1A1 (0.59) ALDH1A1TSHRTDP1HSD17B10LMNA
Methyl Alcohol SCHEMBL8398762 0.97 ALDH1A1 (0.56) ALDH1A1TSHRTDP1HSD17B10LMNA
Dimethyl Sulfoxide SCHEMBL11074140 0.88 ALDH1A1 (0.46) ALDH1A1TSHRTDP1HSD17B10LMNA
Acetonitrile SCHEMBL9387131 0.88 ALDH1A1 (0.46) ALDH1A1TSHRTDP1HSD17B10LMNA
Dimethylformamide SCHEMBL8835272 0.86 ALDH1A1 (0.43) ALDH1A1TSHRTDP1HSD17B10LMNA
Acetic Acid Methyl Ester SCHEMBL10776169 0.82 ALDH1A1 (0.59) ALDH1A1TSHRTDP1HSD17B10LMNA
Butanone SCHEMBL10974410 0.81 ALDH1A1 (0.67) ALDH1A1TSHRTDP1HSD17B10LMNA
Acetone SCHEMBL3715272 0.81 LMNA (0.46) ALDH1A1TSHRTDP1HSD17B10LMNA
SCHEMBL8677276 0.80 ALDH1A1 (0.39) ALDH1A1TSHRTDP1HSD17B10LMNA
SCHEMBL103304 0.79 OPRK1 (0.42) ALDH1A1TSHRTDP1HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207860-A1 Inkjet Ink Compositions Comprising Polymeric Dispersants Having Attached Chromophore Groups CABOT CORPORATION (US) 2011-08-25 US disclosed
US-7947761-B2 Inkjet ink compositions comprising polymeric dispersants having attached chromophore groups CABOT CORPORATION (US) 2011-05-24 US disclosed
EP-1981943-A1 INKJET INK COMPOSITIONS COMPRISING POLYMERIC DISPERSANTS HAVING ATTACHED CHROMOPHORE GROUPS Cabot Corporation (US) 2008-10-22 EP disclosed
WO-2007089859-A1 INKJET INK COMPOSITIONS COMPRISING POLYMERIC DISPERSANTS HAVING ATTACHED CHROMOPHORE GROUPS CABOT CORPORATION (US) 2007-08-09 WO disclosed
US-20070179215-A1 Inkjet ink compositions comprising polymeric dispersants having attached chromophore groups CABOT CORPORATION 2007-08-02 US disclosed
US-20070179214-A1 Inkjet ink compositions comprising polymeric dispersants having attached chromophore groups CABOT CORPORATION 2007-08-02 US disclosed
US-20070179213-A1 Inkjet ink compositions comprising polymeric dispersants having attached chromophore groups CABOT CORPORATION 2007-08-02 US disclosed
EP-1073648-B1 12,13-MODIFIED EPOTHILONE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2006-09-20 EP disclosed