SCHEMBL16351872

SCHEMBL16351872

C=C(C)C(=O)OCCOC(=O)c1ccc(-c2ccc(OC(=O)C(=C)C)c(F)c2)cc1C(=O)OCCOC(=O)C(=C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.38
▸ CFD P00746 1/20 0.36
▸ TSHR P16473 4/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NAAA Q02083 2/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ SERPINE1 P05121 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ POLB P06746 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ RARB P10826 3/20 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
SCHEMBL16351927 0.99 THRB (0.38) THRBCFDTSHRTDP1L3MBTL1
SCHEMBL16351889 0.95 TDP1 (0.37) THRBCFDTSHRTDP1L3MBTL1
SCHEMBL16351868 0.94 THRB (0.39) THRBCFDTSHRTDP1L3MBTL1
SCHEMBL16351906 0.94 CFD (0.40) THRBCFDTSHRTDP1L3MBTL1
SCHEMBL16351918 0.93 THRB (0.38) THRBCFDTDP1L3MBTL1NAAA
SCHEMBL16351892 0.93 THRB (0.38) THRBCFDTSHRTDP1L3MBTL1
SCHEMBL24440710 0.90 POLB (0.38) THRBTDP1L3MBTL1CA1CA2
SCHEMBL19157791 0.90 KMT2A (0.40) THRBL3MBTL1NAAANPC1MEN1
SCHEMBL16351895 0.90 THRB (0.36) THRBCFDTSHRTDP1L3MBTL1
SCHEMBL16351903 0.90 THRB (0.36) THRBCFDTSHRTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2818531-B1 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2017-07-26 — — EP disclosed
US-9567526-B2 Polymerizable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2017-02-14 — — US disclosed
US-9567526-B2 Polymerizable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2017-02-14 — — US disclosed
EP-2818531-A1 Polymerisable compounds and the use thereof in liquid-crystal displays Merck Patent GmbH (DE) 2014-12-31 — — EP disclosed
US-20140375943-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2014-12-25 — — US disclosed
US-20140375943-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2014-12-25 — — US disclosed
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