SCHEMBL17484199

SCHEMBL17484199

C=C(C)C(=O)OCCCc1ccc(-c2ccc(-c3ccc(CCCC(CC)(CO)CO)cc3CC)c(CC)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.33
TSHR P16473 2/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
THRB P10828 1/20 0.31
S1PR3 Q99500 2/20 0.31
HSD17B1 P14061 2/20 0.31
RARB P10826 2/20 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
SCHEMBL17484381 0.94 TSHR (0.35) S1PR1TSHRPOLBAPEX1HTT
SCHEMBL17484440 0.94 S1PR1 (0.35) S1PR1TSHRTHRBS1PR3RARB
SCHEMBL17484201 0.90 S1PR1 (0.37) S1PR1THRBS1PR3RARB
SCHEMBL17484382 0.89 S1PR1 (0.34) S1PR1TSHRPOLBAPEX1HTT
SCHEMBL17070526 0.87 POLB (0.31) S1PR1TSHRPOLBAPEX1HTT
SCHEMBL17484439 0.86 S1PR1 (0.39) S1PR1POLBAPEX1HTTTDP1
SCHEMBL17484460 0.85 S1PR1 (0.35) S1PR1TSHRPOLBAPEX1HTT
SCHEMBL17070404 0.85 S1PR1 (0.34) S1PR1POLBAPEX1HTTTDP1
SCHEMBL17070407 0.85 S1PR1 (0.34) S1PR1POLBAPEX1HTTTDP1
SCHEMBL21787293 0.85 RARB (0.35) S1PR1TSHRHTTTHRBS1PR3

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