SCHEMBL68608

SCHEMBL68608

C=CC(=O)OCCOC(=O)C1CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.43
ALDH1A1 P00352 4/20 0.43
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 1/20 0.40
CYP3A4 P08684 3/20 0.40
THRB P10828 2/20 0.38
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL69828 0.82 TSHR (0.43) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL15879988 0.81 TSHR (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL15893239 0.79 TSHR (0.35) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL14885821 0.77 TSHR (0.38) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL26082898 0.77
SCHEMBL69433 0.76 TSHR (0.37) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL20250642 0.74 FKBP1A (0.33)
SCHEMBL14885801 0.74 TSHR (0.36) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8389036 0.73 TSHR (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL69450 0.73 TSHR (0.35) TSHRALDH1A1TP53HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2085439-B1 Photocurable composition, photocurable ink composition, process for producing photocured material, and inkjet recording method FUJIFILM CORP (JP) 2013-10-02 EP disclosed
US-8128843-B2 Photocurable composition, photocurable ink composition, process for producing photocured material, and inkjet recording method FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-8128843-B2 Photocurable composition, photocurable ink composition, process for producing photocured material, and inkjet recording method FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-8092869-B2 Ink composition for ink jet recording and method for ink jet recording FUJIFILM CORPORATION (JP) 2012-01-10 US disclosed
US-8092869-B2 Ink composition for ink jet recording and method for ink jet recording FUJIFILM CORPORATION (JP) 2012-01-10 US disclosed
EP-2085439-A1 Photocurable composition, photocurable ink composition, process for producing photocured material, and inkjet recording method FUJIFILM Corporation (JP) 2009-08-05 EP disclosed
US-20090186163-A1 PHOTOCURABLE COMPOSITION, PHOTOCURABLE INK COMPOSITION, PROCESS FOR PRODUCING PHOTOCURED MATERIAL, AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2009-07-23 US disclosed
US-20090186163-A1 PHOTOCURABLE COMPOSITION, PHOTOCURABLE INK COMPOSITION, PROCESS FOR PRODUCING PHOTOCURED MATERIAL, AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2009-07-23 US disclosed
US-20090155484-A1 Inkjet recording ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2009-06-18 US disclosed
US-20090155484-A1 Inkjet recording ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2009-06-18 US disclosed
US-20090074982-A1 INK COMPOSITION FOR INK JET RECORDING AND METHOD FOR INK JET RECORDING FUJIFILM CORPORATION (JP) 2009-03-19 US disclosed
US-20090074982-A1 INK COMPOSITION FOR INK JET RECORDING AND METHOD FOR INK JET RECORDING FUJIFILM CORPORATION (JP) 2009-03-19 US disclosed
EP-1927477-B1 Ink composition for inkjet-recording and method for inkjet-recording FUJIFILM CORP (JP) 2009-03-18 EP disclosed
US-20080131618-A1 INK COMPOSITION FOR INKJET-RECORDING AND METHOD FOR INKJET-RECORDING FUJIFILM CORPORATION (JP) 2008-06-05 US disclosed
US-20080131618-A1 INK COMPOSITION FOR INKJET-RECORDING AND METHOD FOR INKJET-RECORDING FUJIFILM CORPORATION (JP) 2008-06-05 US disclosed
EP-1927477-A1 Ink composition for inkjet-recording and method for inkjet-recording FUJIFILM Corporation (JP) 2008-06-04 EP disclosed