SCHEMBL17484381

SCHEMBL17484381

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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 0.33
THRA P10827 1/20 0.32
S1PR1 P21453 4/20 0.31
S1PR3 Q99500 4/20 0.31
VDR P11473 1/20 0.30
PPARG P37231 1/20 0.30
MET P08581 3/20 0.30
TNNC1 P63316 5/20 0.30
SGPL1 O95470 1/20 0.30
S1PR4 O95977 1/20 0.30
GPR183 P32249 1/20 0.30
CERS2 Q96G23 1/20 0.30
S1PR5 Q9H228 1/20 0.30
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
SCHEMBL17484382 0.94 S1PR1 (0.34) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17484199 0.94 S1PR1 (0.33) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17484460 0.91 S1PR1 (0.35) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17484440 0.90 S1PR1 (0.35) TSHRTHRBS1PR1S1PR3
SCHEMBL17484354 0.90 TSHR (0.39) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17484195 0.88 S1PR1 (0.35) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17484457 0.88 RARB (0.34) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17484378 0.87 S1PR1 (0.38) POLBAPEX1HTTTDP1S1PR1
SCHEMBL17484201 0.86 S1PR1 (0.37) THRBS1PR1S1PR3
SCHEMBL17484392 0.86 TSHR (0.40) TSHRPOLBAPEX1HTTTDP1

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