SCHEMBL12761985

SCHEMBL12761985

C=CC(=O)OCCCCOCCCCOCCCCOC(=O)C=C

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.82
ALDH1A1 P00352 4/20 0.82
CYP3A4 P08684 2/20 0.82
TP53 P04637 3/20 0.74
HIF1A Q16665 3/20 0.74
HSD17B10 Q99714 1/20 0.74
HPGD P15428 1/20 0.65
THRB P10828 2/20 0.48
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ATM Q13315 1/20 0.41
HCAR2 Q8TDS4 3/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.35
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NAAA Q02083 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
SCHEMBL14129252 1.00 TSHR (0.82) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL17449872 1.00 TSHR (0.82) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL24404688 0.96 TSHR (0.83) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL14441804 0.96 TSHR (0.83) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL9945691 0.96 TSHR (0.83) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL2921943 0.95 TSHR (0.74) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL9945692 0.95 TSHR (0.74) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL9945690 0.95 TSHR (0.74) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL12082299 0.94 TSHR (0.79) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL24240744 0.94 TSHR (0.79) TSHRALDH1A1CYP3A4TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1803555-B1 Ink composition, inkjet recording method, producing method of planographic printing plate, and planographic printing plate FUJIFILM CORP (JP) 2017-02-22 EP disclosed
US-7897322-B2 Ink composition, inkjet recording method, producing method of planographic printing plate, and planographic printing plate FUJIFILM CORPORATION (JP) 2011-03-01 US disclosed
US-7897322-B2 Ink composition, inkjet recording method, producing method of planographic printing plate, and planographic printing plate FUJIFILM CORPORATION (JP) 2011-03-01 US disclosed
EP-1803555-A1 Ink composition, inkjet recording method, producing method of planographic printing plate, and planographic printing plate Fujifilm Corporation (JP) 2007-07-04 EP disclosed
US-20070146431-A1 Ink composition, inkjet recording method, producing method of planographic printing plate, and planographic printing plate FUJIFILM CORPORATION (JP) 2007-06-28 US disclosed
US-20070146431-A1 Ink composition, inkjet recording method, producing method of planographic printing plate, and planographic printing plate FUJIFILM CORPORATION (JP) 2007-06-28 US disclosed