SCHEMBL17484392

SCHEMBL17484392

C=C(C)C(=O)OCCCc1ccc(CCc2ccc(-c3ccc(CCO)cc3CC)c(CC)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
THRB P10828 2/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP4A11 Q02928 6/20 0.38
CYP4F2 P78329 5/20 0.38
THRA P10827 1/20 0.36
LMNA P02545 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
NAAA Q02083 1/20 0.33
PPARG P37231 1/20 0.33
AKT1 P31749 1/20 0.32
RARB P10826 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 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
SCHEMBL17070464 0.97 TSHR (0.38) TSHRTHRBPOLBAPEX1HTT
SCHEMBL17484455 0.95 TSHR (0.40) TSHRTHRBPOLBAPEX1HTT
SCHEMBL17484405 0.94 RARB (0.36) TSHRTHRBPOLBAPEX1HTT
SCHEMBL17070454 0.94 TSHR (0.36) TSHRTHRBPOLBAPEX1HTT
SCHEMBL17070466 0.92 TSHR (0.38) TSHRTHRBPOLBAPEX1HTT
SCHEMBL17484414 0.91 TSHR (0.37) TSHRTHRBPOLBAPEX1HTT
SCHEMBL17070399 0.90 TSHR (0.35) TSHRTHRBPOLBAPEX1HTT
SCHEMBL17484454 0.89 RARB (0.36) TSHRTHRBPOLBAPEX1HTT
SCHEMBL17070459 0.89 TNKS2 (0.37) TSHRTHRBPOLBAPEX1HTT
SCHEMBL17484447 0.89 RARB (0.39) TSHRTHRBPOLBAPEX1HTT

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