SCHEMBL16332337

SCHEMBL16332337

OB(O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
CYP1A2 P05177 2/20 0.53
LMNA P02545 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MAOB P27338 6/20 0.51
LIPE Q05469 1/20 0.51
ALOX5 P09917 1/20 0.50
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
CYP1A1 P04798 1/20 0.47
CYP19A1 P11511 1/20 0.47
NR4A2 P43354 2/20 0.47
NR4A1 P22736 1/20 0.47

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
SCHEMBL29778401 0.89 MRGPRX4 (0.51) MEN1KMT2ACYP1A2LMNAPTGS1
SCHEMBL29951063 0.89 GRM5 (0.51) MEN1KMT2ACYP1A2LMNAPTGS1
SCHEMBL2504564 0.89 MEN1 (0.47) MEN1KMT2ACYP1A2LMNAPTGS1
SCHEMBL20371229 0.89 MAOB (0.57) MEN1KMT2ACYP1A2LMNAPTGS1
SCHEMBL13903287 0.86 CYP1A2 (0.56) MEN1KMT2ACYP1A2LMNAPTGS1
SCHEMBL22315 0.86 CYP4F2 (0.58) MEN1KMT2AMAOBALOX5CYP4F2
SCHEMBL4674930 0.84 MEN1 (0.70) MEN1KMT2ACYP1A2LMNAPTGS1
SCHEMBL142665 0.83 LMNA (0.66) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL2182223 0.82 LMNA (0.46) MEN1KMT2ACYP1A2LMNAPTGS1
Hydrochloric Acid SCHEMBL29954985 0.80 LMNA (0.45) MEN1KMT2ACYP1A2LMNAPTGS1

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