SCHEMBL16320669

SCHEMBL16320669

O=C(OCCCOCc1ccccc1)c1cc(C(=O)OCCCOCc2ccccc2)cc(-c2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.48
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
GSTP1 P09211 2/20 0.46
MAOB P27338 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
FFAR1 O14842 1/20 0.45
SRD5A2 P31213 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL16320338 0.93 MCL1 (0.50) MCL1NR4A1NR4A2NR4A3GSTP1
SCHEMBL18500350 0.90 MCL1 (0.50) MCL1NR4A1NR4A2NR4A3GSTP1
SCHEMBL16321322 0.88 MCL1 (0.48) MCL1NR4A1NR4A2NR4A3GSTP1
SCHEMBL18500373 0.87 MCL1 (0.50) MCL1NR4A1NR4A2NR4A3GSTP1
SCHEMBL16351975 0.87 TDP1 (0.43) PPARGKMT2A
SCHEMBL16320799 0.85 MCL1 (0.52) MCL1NR4A1NR4A2NR4A3GSTP1
SCHEMBL16351981 0.85 FFAR1 (0.51) MCL1NR4A1NR4A2NR4A3MAOB
SCHEMBL16321119 0.85 MCL1 (0.56) MCL1NR4A1NR4A2NR4A3GSTP1
SCHEMBL16351984 0.84 NPC1 (0.46) MCL1NR4A1NR4A2NR4A3MAOB
SCHEMBL18625355 0.81 PTGER4 (0.56) MCL1NR4A1NR4A2NR4A3MAOB

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 5 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