SCHEMBL15057591

SCHEMBL15057591

C[Si](C)(C)c1oc([Si](C)(C)C)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.36
ELANE P08246 5/20 0.35
GPR3 P46089 3/20 0.35
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HSD17B10 Q99714 2/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
PGAM1 P18669 1/20 0.35
MAOA P21397 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
CYP2A6 P11509 2/20 0.32
TSHR P16473 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
SCHEMBL29839898 0.71 KDM4E (0.44) ALDH1A1KDM4ESMN1; SMN2HSD17B10GLA
SCHEMBL22846884 0.71 KDM4E (0.41) ALDH1A1KDM4ESMN1; SMN2HSD17B10GLA
SCHEMBL12627474 0.69 CYP1A2 (0.40) CYP1A2ELANEGPR3ALDH1A1KDM4E
SCHEMBL1950113 0.69
SCHEMBL347061 0.67 IDO1 (0.41) CYP1A2ELANEGPR3ALDH1A1KDM4E
SCHEMBL2607276 0.63 CYP1A2 (0.47) CYP1A2ELANEGPR3ALDH1A1KDM4E
SCHEMBL12031830 0.61 IDO1 (0.38) CYP1A2ELANEGPR3ALDH1A1KDM4E
SCHEMBL476247 0.61 GPR3 (0.43) CYP1A2ELANEGPR3ALDH1A1KDM4E
SCHEMBL29726936 0.60 IDO1 (0.41) CYP1A2SMN1; SMN2MAPTCYP2A6TSHR
SCHEMBL1880902 0.60 IDO1 (0.41) CYP1A2SMN1; SMN2MAPTCYP2A6TSHR

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
EP-2794548-B1 A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE LUCITE INT UK LTD (GB) 2019-05-15 EP disclosed
EP-2521616-B1 PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS, NOVEL CARBONYLATION LIGANDS AND CATALYST SYSTEMS INCORPORATING SUCH LIGANDS LUCITE INT UK LTD (GB) 2017-02-08 EP disclosed
EP-2297170-B1 PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS, NOVEL CARBONYLATION LIGANDS AND CATALYST SYSTEMS INCORPORATING SUCH LIGANDS LUCITE INT UK LTD (GB) 2015-09-09 EP disclosed
EP-2794548-A1 A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE Lucite International UK Limited (GB) 2014-10-29 EP disclosed
EP-2007703-B1 METAL COMPLEXES FOR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS LUCITE INT UK LTD (GB) 2013-12-18 EP disclosed
WO-2013093472-A1 A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE LUCITE INTERNATIONAL UK LIMITED (GB) 2013-06-27 WO disclosed