SCHEMBL3380945

SCHEMBL3380945

CCCC(O)OC(C)=O.CCCOCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.39
TSHR P16473 5/20 0.34
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 2/20 0.33
CHRM1 P11229 2/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
CYP3A4 P08684 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31

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
SCHEMBL446905 0.89
SCHEMBL3380359 0.89 ALDH1A1 (0.45) HSD17B10TSHRALDH1A1HTR2CDRD3
SCHEMBL28445599 0.87 TSHR (0.40) HSD17B10TSHRALDH1A1TDP1CHRM1
SCHEMBL3383156 0.87 GPR84 (0.40) ALDH1A1CYP3A4CYP1A2CYP2C19CES2
Ether SCHEMBL3377962 0.86 TSHR (0.39) HSD17B10TSHRALDH1A1TDP1CHRM1
Methoxymethane SCHEMBL3382894 0.85 TSHR (0.39) HSD17B10TSHRALDH1A1TDP1CHRM1
Succinic Acid SCHEMBL356090 0.80 LMNA (0.44) HSD17B10TSHRALDH1A1TDP1CHRM1
SCHEMBL3379459 0.79 ALDH1A1 (0.44) TSHRALDH1A1CYP3A4CYP1A2CYP2C19
Fumaric Acid SCHEMBL2163434 0.78 HCAR2 (0.41) TSHRTDP1CHRM1AKR1A1CHRM3
Maleic Acid SCHEMBL2163429 0.78 HCAR2 (0.41) TSHRTDP1CHRM1AKR1A1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2009070-B1 Ink-jet ink and method of producing the same, color filter and method of producing the same, display device, and method of forming functional film FUJIFILM CORP (JP) 2010-11-24 EP disclosed
US-20090035535-A1 INK-JET INK AND METHOD OF PRODUCING THE SAME, COLOR FILTER AND METHOD OF PRODUCING THE SAME, DISPLAY DEVICE, AND METHOD OF FORMING FUNCTIONAL FILM FUJIFILM CORPORATION (JP) 2009-02-05 US disclosed
EP-2009070-A1 Ink-jet ink and method of producing the same, color filter and method of producing the same, display device, and method of forming functional film FUJIFILM Corporation (JP) 2008-12-31 EP disclosed