SCHEMBL12375077

SCHEMBL12375077

C=CC(=O)OCCc1ccc(OC(=O)CCc2ccc(-c3ccc(OC(=O)C=C)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.54
KMT2A Q03164 3/20 0.43
APP P05067 2/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 3/20 0.39
TP53 P04637 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
MET P08581 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
HPGD P15428 2/20 0.38

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
SCHEMBL19292181 0.96 THRB (0.57) THRBKMT2AAPPALDH1A1TSHR
SCHEMBL17340246 0.92 THRB (0.62) THRBKMT2AALDH1A1HSD17B10TDP1
SCHEMBL9607905 0.92 THRB (0.62) THRBAPPALDH1A1TSHRTP53
SCHEMBL15303823 0.90 THRB (0.46) THRBKMT2AAPPALDH1A1TSHR
SCHEMBL18200272 0.89 THRB (0.50) THRBKMT2AALDH1A1TSHRTDP1
SCHEMBL18200273 0.89 THRB (0.50) THRBKMT2AALDH1A1TSHRTDP1
SCHEMBL20342963 0.87 THRB (0.57) THRBKMT2AALDH1A1TSHRTP53
SCHEMBL20194320 0.87 THRB (0.43) THRBKMT2AAPPHCAR2FFAR1
SCHEMBL15582417 0.86 THRB (0.49) THRBKMT2AALDH1A1HSD17B10HPGD
SCHEMBL19978539 0.85 THRB (0.53) THRBKMT2AALDH1A1TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440101-B2 Liquid crystal composition containing polymerizable compound and liquid crystal display element using the same DIC CORPORATION (JP) 2013-05-14 US disclosed
US-8440101-B2 Liquid crystal composition containing polymerizable compound and liquid crystal display element using the same DIC CORPORATION (JP) 2013-05-14 US disclosed
US-20110186776-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2011-08-04 US disclosed
US-20110186776-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2011-08-04 US disclosed