SCHEMBL5836057

SCHEMBL5836057

CC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Si](C)(c1ccccc1)C1C(C)=Cc2c(-c3cccc4ccccc34)cccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.35
ENPP1 P22413 1/20 0.35
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 5/20 0.34
HPGD P15428 3/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
ATM Q13315 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALOX15 P16050 3/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL5837687 0.88 KDM4E (0.35) ENPP3ENPP1ALDH1A1KDM4EHPGD
SCHEMBL7050672 0.87 ENPP3 (0.33) ENPP3ENPP1ALDH1A1KDM4EHPGD
SCHEMBL7054875 0.86 ENPP3 (0.38) ENPP3ENPP1ALDH1A1KDM4EHPGD
SCHEMBL3149399 0.86 ENPP3 (0.38) ENPP3ENPP1ALDH1A1KDM4EHPGD
SCHEMBL7200227 0.86 KDM4E (0.34) ALDH1A1KDM4EHPGDMAPTMAPK1
SCHEMBL7054159 0.86 KDM4E (0.33) ENPP3ENPP1ALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL5167145 0.84 ENPP3 (0.36) ENPP3ENPP1ALDH1A1KDM4EHPGD
SCHEMBL7053238 0.84 ENPP3 (0.36) ENPP3ENPP1ALDH1A1KDM4EHPGD
SCHEMBL4466994 0.84 ENPP3 (0.36) ENPP3ENPP1ALDH1A1KDM4EHPGD
SCHEMBL5837068 0.83 PDCD1 (0.32) ALDH1A1HPGDSMN1; SMN2L3MBTL1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984743-B1 Method for producing metallocenes BASELL POLYOLEFINE GMBH (DE) 2006-01-10 US disclosed
EP-1015463-B1 METHOD FOR PRODUCING METALLOCENES BASELL POLYOLEFINE GMBH (DE) 2002-12-11 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