SCHEMBL10040693

SCHEMBL10040693

C=CC(=O)OCc1cc(COC(=O)C=C)cc(OC(=O)C=C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.45
TSHR P16473 6/20 0.39
ALDH1A1 P00352 4/20 0.39
TP53 P04637 3/20 0.39
HIF1A Q16665 3/20 0.39
CYP3A4 P08684 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36
HCAR2 Q8TDS4 4/20 0.36
MET P08581 1/20 0.36
LMNA P02545 1/20 0.34
AKR1B10 O60218 2/20 0.32
AKR1B1 P15121 2/20 0.32
TTR P02766 1/20 0.32
THRA P10827 1/20 0.32
CA12 O43570 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 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
SCHEMBL21913948 0.90 TSHR (0.46) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL22710561 0.86 THRB (0.54) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL15339015 0.85 TSHR (0.42) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL10065594 0.83 THRB (0.47) THRBHCAR2LMNA
SCHEMBL9013670 0.82 MET (0.43) THRBTSHRHIF1AMETAKR1B1
SCHEMBL22710544 0.82 THRB (0.36) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL12284434 0.81 THRB (0.62) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL24171430 0.81 TSHR (0.39) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL22667466 0.81 MET (0.42) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL24191462 0.81 ALDH1A1 (0.48) THRBTSHRALDH1A1TP53HIF1A

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 6 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-9217109-B2 Polymer-stabilised liquid-crystal media and displays MERCK PATENT GMBH (DE) 2015-12-22 US disclosed
EP-2596082-B1 POLYMER-STABILIZED LIQUID-CRYSTAL MEDIA AND DISPLAYS MERCK PATENT GMBH (DE) 2015-11-04 EP disclosed
US-20130119311-A1 POLYMER-STABILISED LIQUID-CRYSTAL MEDIA AND DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-05-16 US disclosed
US-20130119311-A1 POLYMER-STABILISED LIQUID-CRYSTAL MEDIA AND DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-05-16 US disclosed
WO-2012022388-A1 POLYMER-STABILIZED LIQUID-CRYSTAL MEDIA AND DISPLAYS MERCK PATENT GMBH (DE) 2012-02-23 WO disclosed