SCHEMBL9561657

SCHEMBL9561657

C=C(C)C(=O)OCCn1cccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
TSHR P16473 4/20 0.46
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.37
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
HPGD P15428 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
SCHEMBL9561372 0.90 THRB (0.54) THRBTSHRHTTPOLBAPEX1
SCHEMBL28168322 0.89 TSHR (0.51) THRBTSHRHTTPOLBAPEX1
SCHEMBL28081668 0.81 TSHR (0.44) THRBTSHRHTTPOLBAPEX1
SCHEMBL10815654 0.80 ALDH1A1 (0.47) TSHRHTTALDH1A1MEN1KMT2A
SCHEMBL28396291 0.80 THRB (0.46) THRBTSHRHTTPOLBAPEX1
SCHEMBL1071597 0.80 TBXAS1 (0.50) ALDH1A1MEN1KMT2A
Benzene SCHEMBL28145673 0.78 THRB (0.65) THRBTSHRHTTPOLBAPEX1
SCHEMBL31556453 0.77 THRB (0.43) THRBTSHRHTTPOLBAPEX1
SCHEMBL9281109 0.77 SMN1; SMN2 (0.41) THRBTSHRHTTPOLBAPEX1
SCHEMBL24798347 0.76 THRB (0.50) THRBTSHRHTTPOLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101796149-B Coating agent and method for production thereof DAINIPPON INK & CHEMICALS 2012-10-10 CN disclosed
CN-101796149-A Coating agent and method for production thereof DAINIPPON INK & CHEMICALS 2010-08-04 CN disclosed
US-20090311494-A1 RELIEF PRINTING PLATE PRECURSOR FOR LASER ENGRAVING, RELIEF PRINTING PLATE, AND PROCESS FOR PRODUCING RELIEF PRINTING PLATE FUJIFILM CORPORATION (JP) 2009-12-17 US disclosed
US-20090311494-A1 RELIEF PRINTING PLATE PRECURSOR FOR LASER ENGRAVING, RELIEF PRINTING PLATE, AND PROCESS FOR PRODUCING RELIEF PRINTING PLATE FUJIFILM CORPORATION (JP) 2009-12-17 US disclosed
US-5243004-A Polymeric conductors FUJI PHOTO FILM CO., LTD. (JP) 1993-09-07 US disclosed