SCHEMBL16320799

SCHEMBL16320799

O=C(OCCOCc1ccccc1)c1cc(Br)cc(-c2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.52
MRGPRX4 Q96LA9 1/20 0.47
MMP12 P39900 1/20 0.46
FFAR1 O14842 2/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45
NR4A3 Q92570 1/20 0.45
PTGES O14684 1/20 0.45
FFAR4 Q5NUL3 1/20 0.43
MAOB P27338 1/20 0.43
GSTP1 P09211 1/20 0.43
PARP10 Q53GL7 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43

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
SCHEMBL18500350 0.92 MCL1 (0.50) MCL1MMP12FFAR1NR4A1NR4A2
SCHEMBL16320338 0.92 MCL1 (0.50) MCL1MMP12FFAR1NR4A1NR4A2
SCHEMBL16321322 0.90 MCL1 (0.48) MCL1MMP12FFAR1NR4A1NR4A2
SCHEMBL18500373 0.89 MCL1 (0.50) MCL1MMP12FFAR1NR4A1NR4A2
SCHEMBL16351984 0.88 NPC1 (0.46) MCL1FFAR1NR4A1NR4A2NR4A3
SCHEMBL16351981 0.87 FFAR1 (0.51) MCL1FFAR1NR4A1NR4A2NR4A3
SCHEMBL16320669 0.85 MCL1 (0.48) MCL1FFAR1NR4A1NR4A2NR4A3
SCHEMBL18625355 0.83 PTGER4 (0.56) MCL1MRGPRX4FFAR1NR4A1NR4A2
SCHEMBL16341035 0.82 KMT2A (0.52) MCL1MRGPRX4FFAR1NR4A1NR4A2
SCHEMBL19158438 0.82 FFAR1 (0.47) MCL1FFAR1FFAR4PTGER4PTGER3

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 7 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
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