SCHEMBL20869229

SCHEMBL20869229

O=C1CC(OCc2ccccc2)CCC1c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.45
TP53 P04637 1/20 0.45
MMP13 P45452 1/20 0.45
LMNA P02545 2/20 0.44
KCNH2 Q12809 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
GSTP1 P09211 1/20 0.43
CYP1A2 P05177 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGS2 P35354 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HIF1A Q16665 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 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
SCHEMBL20869226 0.73 MAOA (0.48) MAOBLMNAKCNH2CYP1A2PTGS1
SCHEMBL7442302 0.72 MAOB (0.55) MAOBLMNAGSTP1CYP1A2PTGS1
SCHEMBL20869231 0.72 TP53 (0.41) MAOBTP53LMNAKCNH2CYP1A2
SCHEMBL10272647 0.72 MRGPRX4 (0.64) MAOBLMNAKCNH2CYP1A2PTGS1
SCHEMBL20455786 0.72 MAOB (0.61) MAOBLMNAGSTP1CYP1A2PTGS1
SCHEMBL16937202 0.72 OPRM1 (0.53) MAOBTP53LMNAKCNH2TNKS2
SCHEMBL24798064 0.71 MRGPRX4 (0.50) MAOBTP53MMP13LMNAKCNH2
SCHEMBL2149901 0.71 MRGPRX4 (0.50) MAOBTP53MMP13LMNAKCNH2
SCHEMBL2150597 0.71 MRGPRX4 (0.50) MAOBTP53MMP13LMNAKCNH2
SCHEMBL16874617 0.71 TP53 (0.47) MAOBTP53MMP13LMNAKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3688118-B1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2021-05-19 EP disclosed
US-20200263091-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2020-08-20 US disclosed
WO-2019063585-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2019-04-04 WO disclosed