SCHEMBL3380359

SCHEMBL3380359

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.42
CES2 O00748 1/20 0.40
PLA2G2C Q5R387 3/20 0.38
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGS2 P35354 1/20 0.36
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ADRA1D P25100 1/20 0.35
PTAFR P25105 1/20 0.35
HTR1D P28221 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1B P35368 1/20 0.35
DRD3 P35462 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35

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
SCHEMBL3379459 0.91 ALDH1A1 (0.44) ALDH1A1TSHRCES2PLA2G2CCYP3A4
SCHEMBL3380945 0.89 HSD17B10 (0.39) ALDH1A1TSHRCES2PLA2G2CCYP3A4
SCHEMBL446905 0.86
SCHEMBL28445599 0.84 TSHR (0.40) ALDH1A1TSHRCYP3A4ALOX15MAPT
SCHEMBL3383156 0.84 GPR84 (0.40) ALDH1A1CES2PLA2G2CCYP3A4CYP1A2
Ether SCHEMBL3377962 0.82 TSHR (0.39) ALDH1A1TSHRCYP3A4MAPTHSD17B10
SCHEMBL861395 0.82 ALDH1A1 (0.43) ALDH1A1TSHR
Methoxymethane SCHEMBL3382894 0.82 TSHR (0.39) ALDH1A1TSHRCYP3A4ALOX15MAPT
SCHEMBL9250546 0.80 GPR84 (0.47) ALDH1A1MAPT
SCHEMBL11778914 0.79 GPR84 (0.50) MAPT

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