SCHEMBL9923834

SCHEMBL9923834

C=CC(=O)OCCCCCCOC(=O)CC(C)=O

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.68
ALDH1A1 P00352 3/20 0.68
CYP3A4 P08684 1/20 0.68
HPGD P15428 1/20 0.56
TP53 P04637 2/20 0.47
HIF1A Q16665 2/20 0.47
HSD17B10 Q99714 1/20 0.47
FAAH O00519 2/20 0.41
THRB P10828 2/20 0.40
NAAA Q02083 1/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
HCAR2 Q8TDS4 2/20 0.39
ATM Q13315 1/20 0.37
HTR2C P28335 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
SCHEMBL271812 0.98 TSHR (0.64) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL295847 0.95 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL838491 0.92 TSHR (0.58) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL218670 0.91 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL11996075 0.86 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL12394965 0.86 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL12394981 0.86 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL31150912 0.85 TSHR (0.49) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL23041373 0.84 MGAM (0.52) TSHRALDH1A1FAAHNAAAMGAM
SCHEMBL4595426 0.84 MGAM (0.52) TSHRALDH1A1FAAHNAAAMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642247-B2 Ink composition, inkjet recording method, printed material, method for producing planographic printing plate, and planographic printing plate FUJIFILM CORPORATION (JP) 2014-02-04 US disclosed
US-8642247-B2 Ink composition, inkjet recording method, printed material, method for producing planographic printing plate, and planographic printing plate FUJIFILM CORPORATION (JP) 2014-02-04 US disclosed
US-8211623-B2 Ink composition, inkjet recording method, printed material, method for producing planographic printing plate, and planographic printing plate FUJIFILM CORPORATION (JP) 2012-07-03 US disclosed
US-8211623-B2 Ink composition, inkjet recording method, printed material, method for producing planographic printing plate, and planographic printing plate FUJIFILM CORPORATION (JP) 2012-07-03 US disclosed
US-20120149797-A1 INK COMPOSITION, INKJET RECORDING METHOD, PRINTED MATERIAL, METHOD FOR PRODUCING PLANOGRAPHIC PRINTING PLATE, AND PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2012-06-14 US disclosed
US-20120149797-A1 INK COMPOSITION, INKJET RECORDING METHOD, PRINTED MATERIAL, METHOD FOR PRODUCING PLANOGRAPHIC PRINTING PLATE, AND PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2012-06-14 US disclosed
US-20100298494-A1 INK COMPOSITION, INKJET RECORDING METHOD, PRINTED MATERIAL, METHOD FOR PRODUCING PLANOGRAPHIC PRINTING PLATE, AND PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2010-11-25 US disclosed
US-20100298494-A1 INK COMPOSITION, INKJET RECORDING METHOD, PRINTED MATERIAL, METHOD FOR PRODUCING PLANOGRAPHIC PRINTING PLATE, AND PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2010-11-25 US disclosed
US-7794918-B2 Ink composition, inkjet recording method, printed material, method for producing planographic printing plate, and planographic printing plate FUJIFILM CORPORATION (JP) 2010-09-14 US disclosed
US-7794918-B2 Ink composition, inkjet recording method, printed material, method for producing planographic printing plate, and planographic printing plate FUJIFILM CORPORATION (JP) 2010-09-14 US disclosed
US-20070146430-A1 Ink composition, inkjet recording method, printed material, method for producing planographic printing plate, and planographic printing plate FUJIFILM CORPORATION (JP) 2007-06-28 US disclosed
US-20070146430-A1 Ink composition, inkjet recording method, printed material, method for producing planographic printing plate, and planographic printing plate FUJIFILM CORPORATION (JP) 2007-06-28 US disclosed