SCHEMBL16320997

SCHEMBL16320997

OB(O)Oc1ccc(OCCOCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS2 P35354 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
TSHR P16473 1/20 0.44
FOXM1 Q08050 1/20 0.44
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PPARG P37231 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
GAA P10253 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
SCHEMBL1373373 0.84 LMNA (0.66) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL6662818 0.84 TSHR (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL16594362 0.84 TSHR (0.56) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL4817895 0.84 CA1 (0.49) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL4768663 0.84 TDP1 (0.50) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL6660289 0.84 TDP1 (0.50) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL3120643 0.83 TSHR (0.50) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL5677947 0.83 LMNA (0.62) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL903883 0.82 TSHR (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL27363692 0.81 TSHR (0.56) LMNACYP1A2PTGS1SLC6A2CYP2C19

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 4 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
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