SCHEMBL17070355

SCHEMBL17070355

CCCCCc1ccc(-c2ccc(-c3cc(O)c(CCO)cc3O)cc2CC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.47
ALOX5 P09917 1/20 0.46
RARA P10276 2/20 0.41
RARG P13631 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
ALDH1A1 P00352 3/20 0.41
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
SHBG P04278 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
HSPD1 P10809 1/20 0.41
ADRB3 P13945 1/20 0.41

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
SCHEMBL31746995 1.00 RARB (0.47) RARBALOX5RARARARGGPR84
SCHEMBL16807114 0.85 RARB (0.50) RARBALOX5RARARARGGPR84
SCHEMBL16807132 0.84 RARB (0.52) RARBRARARARGALDH1A1ESR1
SCHEMBL15829720 0.84 RARB (0.51) RARBRARARARGGPR84ALDH1A1
SCHEMBL16807121 0.83 RARB (0.50) RARBALOX5RARARARGGPR84
SCHEMBL16807115 0.83 RARB (0.50) RARBALOX5RARARARGGPR84
SCHEMBL16807155 0.83 RARB (0.53) RARBRARARARGALDH1A1ESR1
SCHEMBL15725350 0.83 RARB (0.52) RARBRARARARGGPR84ALDH1A1
SCHEMBL22820009 0.82 RARB (0.49) RARBALOX5RARARARGALDH1A1
SCHEMBL17070356 0.82 RARB (0.39) RARBALOX5RARARARGGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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