SCHEMBL14944799

SCHEMBL14944799

C=CC(=O)OCOC(=O)c1ccc(OCOC(=O)C=C)c(C(=O)OCOC(=O)C=C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.37
TSHR P16473 7/20 0.35
MAPT P10636 1/20 0.35
CYP3A4 P08684 3/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPK1 P28482 1/20 0.33
SNCA P37840 1/20 0.33
MYC P01106 1/20 0.33
HSD17B2 P37059 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
KDM4E B2RXH2 2/20 0.32
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL14944800 0.81 POLB (0.39) TSHRMAPTCYP3A4ALDH1A1MAPK1
SCHEMBL17354427 0.79 THRB (0.36) THRBTSHRMAPTCYP3A4ALDH1A1
SCHEMBL19759256 0.77 MAPT (0.40) THRBMAPTGAAALDH1A1MAPK1
SCHEMBL13171633 0.77 LCK (0.40) THRBTSHRMAPTCYP3A4ALDH1A1
SCHEMBL17354426 0.76 THRB (0.41) THRBTSHRCYP3A4ALDH1A1MAPK1
SCHEMBL19759246 0.76 THRB (0.40) THRBMAPTALDH1A1KDM4ETP53
SCHEMBL19082936 0.75 MAPT (0.38) THRBMAPTCYP3A4MAPK1KDM4E
SCHEMBL15946522 0.75 KMT2A (0.39) THRBMAPTCYP3A4ALDH1A1TP53
SCHEMBL19771198 0.75 CYP2D6 (0.39) KDM4ECYP2D6SCN1ASCN2ASCN3A
SCHEMBL13806822 0.75 TAS1R3 (0.36) THRBMAPTCYP3A4HIF1ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9217109-B2 Polymer-stabilised liquid-crystal media and displays MERCK PATENT GMBH (DE) 2015-12-22 US disclosed
US-20130119311-A1 POLYMER-STABILISED LIQUID-CRYSTAL MEDIA AND DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-05-16 US disclosed