SCHEMBL17484454

SCHEMBL17484454

C=C(C)C(=O)OCCCc1ccc(CCc2ccc(-c3ccc(CCCO)cc3CC)c(F)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.36
TSHR P16473 2/20 0.36
CYP4A11 Q02928 3/20 0.35
CYP4F2 P78329 2/20 0.35
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
THRB P10828 2/20 0.34
TNKS2 Q9H2K2 1/20 0.32
THRA P10827 1/20 0.32
PPARA Q07869 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
PPARG P37231 1/20 0.31
NAAA Q02083 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
SCHEMBL17484405 0.96 RARB (0.36) RARBTSHRCYP4A11CYP4F2POLB
SCHEMBL17484414 0.94 TSHR (0.37) RARBTSHRCYP4A11CYP4F2POLB
SCHEMBL17484455 0.94 TSHR (0.40) RARBTSHRCYP4A11CYP4F2POLB
SCHEMBL17484448 0.93 RARB (0.39) RARBTSHRCYP4A11CYP4F2POLB
SCHEMBL17477156 0.92 POLB (0.41) RARBPOLBAPEX1HTTTDP1
SCHEMBL17070466 0.90 TSHR (0.38) TSHRCYP4A11CYP4F2POLBAPEX1
SCHEMBL17484456 0.89 RARB (0.34) RARBTSHRPOLBAPEX1HTT
SCHEMBL17484393 0.89 RARB (0.34) RARBTSHRPOLBAPEX1HTT
SCHEMBL17484392 0.89 TSHR (0.40) RARBTSHRCYP4A11CYP4F2POLB
SCHEMBL17484447 0.89 RARB (0.39) RARBTSHRCYP4A11CYP4F2POLB

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
EP-3174955-B1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2019-10-23 EP disclosed
US-10294426-B2 Liquid crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2019-05-21 US disclosed
US-20180208848-A1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2018-07-26 US disclosed
US-20180208848-A1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2018-07-26 US disclosed
WO-2016015803-A1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2016-02-04 WO disclosed