SCHEMBL7054875

SCHEMBL7054875

CC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Si](C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.38
ENPP1 P22413 1/20 0.38
DHFR P00374 1/20 0.36
ALOX15 P16050 4/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 5/20 0.35
HPGD P15428 4/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP2 O95551 1/20 0.35
ALOX12 P18054 1/20 0.35
CASP3 P42574 1/20 0.35
HTT P42858 1/20 0.35
GALK1 P51570 1/20 0.35
BLM P54132 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3149399 0.91 ENPP3 (0.38) ENPP3ENPP1DHFRALOX15MAPT
SCHEMBL4466994 0.89 ENPP3 (0.36) ENPP3ENPP1DHFRALOX15MAPT
SCHEMBL7053238 0.89 ENPP3 (0.36) ENPP3ENPP1DHFRALOX15MAPT
Hydrochloric Acid SCHEMBL5167145 0.89 ENPP3 (0.36) ENPP3ENPP1DHFRALOX15MAPT
SCHEMBL5836057 0.86 ENPP3 (0.35) ENPP3ENPP1DHFRALOX15MAPT
SCHEMBL5837687 0.85 KDM4E (0.35) ENPP3ENPP1DHFRALOX15MAPT
SCHEMBL1452672 0.84 ENPP3 (0.33) ENPP3ENPP1DHFRALOX15MAPT
SCHEMBL7050672 0.84 ENPP3 (0.33) ENPP3ENPP1DHFRALOX15MAPT
SCHEMBL7054159 0.82 KDM4E (0.33) ENPP3ENPP1DHFRALOX15MAPT
SCHEMBL28529430 0.82 ALDH1A1 (0.36) ENPP3ENPP1DHFRALOX15MAPT

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-0985674-B1 ORGANIC COMPOUNDS CONTAINING SILICON OR GERMANIUM, TRANSITION METAL COMPLEXES, CATALYST FOR ALPHA-OLEFIN POLYMERIZATION, AND PROCESSES FOR PRODUCING ALPHA-OLEFIN POLYMERS MITSUBISHI CHEM CORP (JP) 2003-04-23 EP disclosed
US-6255515-B1 COORDINATION POLYMERIZATION CATALYSTS MITSUBISHI CHEMICAL CORPORATION (JP) 2001-07-03 US disclosed
EP-0985674-A1 ORGANIC COMPOUNDS CONTAINING SILICON OR GERMANIUM, TRANSITION METAL COMPLEXES, CATALYST FOR $g(a)-OLEFIN POLYMERIZATION, AND PROCESSES FOR PRODUCING $g(a)-OLEFIN POLYMERS MITSUBISHI CHEMICAL CORPORATION (JP) 2000-03-15 EP disclosed