SCHEMBL5734633

SCHEMBL5734633

CC(C)(C)C12CC3CC(CC(PC(PC45CC6CC(C4)CC(C(C)(C)C)(C6)C5)c4ccccc4)(C3)C1)C2

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
EPHX2 P34913 1/20 0.34
EPHX1 P07099 1/20 0.33
RBP4 P02753 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SIGMAR1 Q99720 2/20 0.31
HSD11B1 P28845 3/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL1735132 0.87 GRIN2D (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27968929 0.78 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16525261 0.72
SCHEMBL6465662 0.72 EPHX2 (0.34) EPHX2EPHX1SIGMAR1HSD11B1
SCHEMBL16524854 0.71
SCHEMBL5736685 0.70 SIGMAR1 (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16524838 0.70 SLC6A2 (0.32)
SCHEMBL16524561 0.70
SCHEMBL16525013 0.70
SCHEMBL29033699 0.69 EPHX2 (0.38) EPHX2EPHX1L3MBTL1SIGMAR1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106928061-B Continuous process for the carbonylation of ethylene 璐彩特国际英国有限公司 2020-08-28 CN claimed
CN-106928061-B Continuous process for the carbonylation of ethylene 璐彩特国际英国有限公司 2020-08-28 CN disclosed
EP-2794548-A1 A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE Lucite International UK Limited (GB) 2014-10-29 EP disclosed
WO-2013093472-A1 A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE LUCITE INTERNATIONAL UK LIMITED (GB) 2013-06-27 WO disclosed
EP-1713582-A1 A CATALYST SYSTEM Lucite International UK Limited (GB) 2006-10-25 EP disclosed
WO-2005079981-A1 A CATALYST SYSTEM LUCITE INTERNATIONAL UK LIMITED (GB) 2005-09-01 WO disclosed