SCHEMBL17070477

SCHEMBL17070477

C=C(C)C(=O)OCCCc1ccc(-c2ccc(-c3ccc(CCCO)cc3CC)c(OC(=O)C(=C)C)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
CYP4A11 Q02928 2/20 0.33
CYP4F2 P78329 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
THRB P10828 2/20 0.32
RARB P10826 7/20 0.32
RARG P13631 3/20 0.32
RARA P10276 2/20 0.32
AKT1 P31749 1/20 0.32
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 0.31
THRA P10827 1/20 0.31
PPARA Q07869 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
SCHEMBL17070450 0.96 TSHR (0.34) TSHRCYP4A11CYP4F2TNKS2POLB
SCHEMBL17070459 0.93 TNKS2 (0.37) TSHRCYP4A11CYP4F2TNKS2POLB
SCHEMBL17070449 0.90 TSHR (0.35) TSHRCYP4A11CYP4F2TNKS2POLB
SCHEMBL17070451 0.90 PTAFR (0.32) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17070448 0.90 TSHR (0.31) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17070454 0.89 TSHR (0.36) TSHRCYP4A11CYP4F2TNKS2POLB
SCHEMBL17484455 0.89 TSHR (0.40) TSHRCYP4A11CYP4F2TNKS2POLB
SCHEMBL17484448 0.88 RARB (0.39) TSHRCYP4A11CYP4F2TNKS2POLB
SCHEMBL17070399 0.86 TSHR (0.35) TSHRCYP4A11CYP4F2POLBAPEX1
SCHEMBL17070466 0.86 TSHR (0.38) TSHRCYP4A11CYP4F2TNKS2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3730590-A1 LIQUID CRYSTAL MEDIA WITH HOMEOTROPIC ALIGNMENT Merck Patent GmbH (DE) 2020-10-28 EP disclosed
EP-2918658-B1 Liquid crystalline media with homeotropic alignment MERCK PATENT GMBH (DE) 2020-05-13 EP disclosed
US-10513657-B2 Liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2019-12-24 US disclosed
US-20180057743-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2018-03-01 US disclosed
US-20180057743-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2018-03-01 US disclosed
US-9809748-B2 Liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2017-11-07 US disclosed
US-9809748-B2 Liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2017-11-07 US disclosed
EP-2918658-A2 Liquid crystalline media with homeotropic alignment Merck Patent GmbH (DE) 2015-09-16 EP disclosed
US-20150252265-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2015-09-10 US disclosed
US-20150252265-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2015-09-10 US disclosed