SCHEMBL17070353

SCHEMBL17070353

CCCCCc1ccc(-c2ccc(B(O)O)cc2CC)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.62
LIPG Q9Y5X9 7/20 0.62
TRPV1 Q8NER1 1/20 0.60
MGLL Q99685 1/20 0.60
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
RARB P10826 10/20 0.49
RARA P10276 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
MTOR P42345 1/20 0.44
KMT2A Q03164 1/20 0.44
RARG P13631 1/20 0.42
GPR84 Q9NQS5 1/20 0.42

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
SCHEMBL29733595 1.00 LPL (0.62) LPLLIPGTRPV1MGLLCA1
SCHEMBL12696478 0.96 CA1 (0.61) LPLLIPGTRPV1MGLLCA1
SCHEMBL6557463 0.83 LPL (0.62) LPLLIPGTRPV1MGLLCA1
SCHEMBL15725327 0.82 RARB (0.53) LPLLIPGRARBRARAALDH1A1
SCHEMBL11409793 0.82 CA1 (0.50) LPLLIPGTRPV1MGLLCA1
SCHEMBL16807083 0.81 RARB (0.53) RARBRARAALDH1A1MEN1MAPT
SCHEMBL15725350 0.81 RARB (0.52) RARBRARAALDH1A1MEN1MAPT
SCHEMBL1791067 0.80 LPL (0.89) LPLLIPGTRPV1MGLLCA1
SCHEMBL16807074 0.80 RARB (0.51) RARBRARAALDH1A1MEN1MAPT
SCHEMBL16807151 0.80 RARB (0.51) RARBRARAALDH1A1MEN1MAPT

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