SCHEMBL2012832

SCHEMBL2012832

CC(C)(C)PC(c1ccccc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.42
EPHX2 P34913 4/20 0.38
EPHX1 P07099 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
P2RX7 Q99572 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC22A2 O15244 1/20 0.32
SLC47A1 Q96FL8 1/20 0.32

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
SCHEMBL1733948 0.85 EPHX2 (0.38) SIGMAR1EPHX2ALDH1A1SMN1; SMN2P2RX7
SCHEMBL30195756 0.72 SIGMAR1 (0.48) SIGMAR1EPHX2EPHX1ALDH1A1SMN1; SMN2
SCHEMBL28531066 0.70 SIGMAR1 (0.45) SIGMAR1EPHX2EPHX1ALDH1A1SMN1; SMN2
SCHEMBL6849516 0.68 EPHX1 (0.45) SIGMAR1EPHX2EPHX1ALDH1A1SMN1; SMN2
SCHEMBL5610374 0.68 SIGMAR1 (0.44) SIGMAR1EPHX2EPHX1ALDH1A1SMN1; SMN2
SCHEMBL5610447 0.68 EPHX1 (0.45) SIGMAR1EPHX2EPHX1ALDH1A1P2RX7
SCHEMBL11447336 0.68 EPHX1 (0.45) SIGMAR1EPHX2EPHX1ALDH1A1SMN1; SMN2
SCHEMBL29244326 0.68 EPHX1 (0.45) SIGMAR1EPHX2EPHX1SLC22A2SLC47A1
SCHEMBL6934746 0.68 SIGMAR1 (0.42) SIGMAR1EPHX2ALDH1A1SMN1; SMN2
SCHEMBL29033699 0.68 EPHX2 (0.38) SIGMAR1EPHX2EPHX1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101448773-B Metal complexes for use in the carbonylation of ethylenically unsaturated compounds LUCITE INT UK LTD 2015-02-11 CN claimed
CN-102741213-B A continuous process for the carbonylation of ethylene LUCITE INT UK LTD 2015-05-27 CN disclosed
CN-102740972-B Improved carbonylation process LUCITE INT UK LTD 2015-02-11 CN disclosed
EP-2513031-A1 A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE Lucite International UK Limited (GB) 2012-10-24 EP disclosed
WO-2011073655-A1 A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE LUCITE INTERNATIONAL UK LIMITED (GB) 2011-06-23 WO disclosed