SCHEMBL17070407

SCHEMBL17070407

C=C(C)C(=O)OCCCc1ccc(-c2ccc(-c3ccc(OCCC(CC)(CO)CO)c(CCOC(=O)C(=C)C)c3)c(CC)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.34
CNR2 P34972 2/20 0.34
CNR1 P21554 1/20 0.34
RARA P10276 2/20 0.33
RARB P10826 2/20 0.33
RARG P13631 2/20 0.33
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 0.31
MTNR1B P49286 1/20 0.31
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31
PTAFR P25105 1/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALOX5 P09917 1/20 0.30
TP53 P04637 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
SCHEMBL17070415 0.97 CNR2 (0.36) S1PR1CNR2CNR1RARARARB
SCHEMBL18645611 0.96 S1PR1 (0.37) S1PR1CNR2CNR1RARARARB
SCHEMBL17070362 0.95 S1PR1 (0.37) S1PR1CNR2CNR1RARARARB
SCHEMBL18647066 0.95 S1PR1 (0.37) S1PR1CNR2CNR1RARARARB
SCHEMBL17070502 0.94 S1PR1 (0.36) S1PR1CNR2CNR1RARARARB
SCHEMBL18645808 0.94 S1PR1 (0.36) S1PR1CNR2CNR1RARARARB
SCHEMBL18646487 0.94 CNR2 (0.37) S1PR1CNR2CNR1RARBPOLB
SCHEMBL18646510 0.94 CNR2 (0.36) S1PR1CNR2CNR1RARBMTNR1B
SCHEMBL17070364 0.93 S1PR1 (0.37) S1PR1CNR2CNR1RARARARB
SCHEMBL17070537 0.91 HTT (0.37) S1PR1CNR2CNR1RARBPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11150518-B2 Liquid crystal display device SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2021-10-19 US disclosed
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-20200073180-A1 LIQUID CRYSTAL DISPLAY DEVICE SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2020-03-05 US 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