SCHEMBL17070362

SCHEMBL17070362

C=C(C)C(=O)OCCc1cc(-c2ccc(-c3ccc(CCCCC)cc3)cc2CC)ccc1OCCC(CC)(CO)CO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.37
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
HTT P42858 3/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
THRB P10828 2/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
PTPN11 Q06124 1/20 0.34
APAF1 O14727 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RARB P10826 7/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
THRA P10827 1/20 0.33

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
SCHEMBL18647066 1.00 S1PR1 (0.37) S1PR1CNR2CNR1HTTMAPT
SCHEMBL18646487 0.99 CNR2 (0.37) S1PR1CNR2CNR1HTTMAPT
SCHEMBL18645611 0.98 S1PR1 (0.37) S1PR1CNR2CNR1PTPN1PTPN6
SCHEMBL17070364 0.98 S1PR1 (0.37) S1PR1CNR2CNR1HTTMAPT
SCHEMBL17070502 0.96 S1PR1 (0.36) S1PR1CNR2CNR1HTTMAPT
SCHEMBL17070537 0.96 HTT (0.37) S1PR1CNR2CNR1HTTMAPT
SCHEMBL18645808 0.96 S1PR1 (0.36) S1PR1CNR2CNR1HTTMAPT
SCHEMBL18647023 0.95 S1PR1 (0.41) S1PR1CNR2CNR1HTTMAPT
SCHEMBL17070540 0.95 CNR2 (0.36) S1PR1CNR2CNR1HTTMAPT
SCHEMBL18646506 0.95 CNR2 (0.36) S1PR1CNR2CNR1HTTMAPT

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 11 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
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