SCHEMBL5596343

SCHEMBL5596343

COc1cc(C)c(O)c(P(Cc2ccccc2)c2cc(OC)cc(C)c2O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LTA4H P09960 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
MAPK1 P28482 1/20 0.37
IDH1 O75874 1/20 0.37
MAOB P27338 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL5596432 0.81 GAA (0.40) MEN1KMT2AL3MBTL1KDM4EMAPT
SCHEMBL5596273 0.78 CYP3A4 (0.41) MEN1KMT2AALDH1A1CYP3A4HPGD
SCHEMBL5596039 0.77 MEN1 (0.41) MEN1KMT2ATSHRTDP1KDM4E
SCHEMBL5596223 0.75 MEN1 (0.38) MEN1KMT2ATSHRKDM4EMAPT
SCHEMBL5595988 0.75 CYP3A4 (0.40) MEN1KMT2AALDH1A1CYP3A4HPGD
SCHEMBL5596336 0.74 ALDH1A1 (0.45) MEN1KMT2AGABRA1GABRB2MAOB
SCHEMBL5596087 0.74 NPC1 (0.41) MAPK1CYP3A4HPGDPTGS1PTGS2
SCHEMBL5596915 0.73 PTGS2 (0.40) KMT2AKDM4ECYP3A4HPGDHSD17B10
SCHEMBL5596484 0.72 MEN1 (0.38) MEN1KMT2ATSHRKDM4EMAPT
SCHEMBL5596170 0.72 CYP3A4 (0.43) MEN1KMT2ATSHRMAPK1KDM4E

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
US-7279537-B2 Transition metal complexes and polymerization catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-09 US disclosed
US-20060229195-A1 Transition metal complexes and polymerization catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-10-12 US disclosed
EP-1557423-A1 TRANSITION METAL COMPLEXES AND POLYMERIZATION CATALYSTS Sumitomo Chemical Company, Limited (JP) 2005-07-27 EP disclosed