SCHEMBL5087002

SCHEMBL5087002

COc1c(Br)cc(C)cc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.46
PDE4A P27815 3/20 0.46
PDE4C Q08493 3/20 0.46
PDE4D Q08499 3/20 0.46
MAOB P27338 3/20 0.44
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
SQOR Q9Y6N5 1/20 0.40
NQO2 P16083 1/20 0.40
NUDT1 P36639 1/20 0.40
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
METAP2 P50579 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
BACE1 P56817 2/20 0.38
IKBKB O14920 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL757781 0.87 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL7169549 0.84 IKBKB (0.48) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL30389007 0.82 MAPT (0.42) PDE4BPDE4APDE4CPDE4DMAOB
SCHEMBL22320158 0.82 MAPT (0.42) PDE4BPDE4APDE4CPDE4DMAOB
SCHEMBL29801662 0.81 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL13508902 0.79 THRB (0.47) MAOBMAPTALDH1A1KDM4EHPGD
SCHEMBL24086742 0.78 MAPT (0.40) MAPTL3MBTL1LMNAALDH1A1NQO2
SCHEMBL6677321 0.78 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DL3MBTL1
SCHEMBL3415618 0.78 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DL3MBTL1
SCHEMBL28220857 0.77 MAOB (0.49) MAOBLMNAALDH1A1MAPK1SQOR

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
EP-1498178-B1 Transition metal complex and process for producing the same SUMITOMO CHEMICAL CO (JP) 2008-06-11 EP disclosed
EP-1498178-A2 Transition metal complex, process for producing the same, olefin polymerization catalyst containing the transition metal complex and process for producing olefin polymers Sumitomo Chemical Company, Limited (JP) 2005-01-19 EP disclosed
EP-0842939-B1 OLEFIN POLYMERIZATION CATALYST CONTAINING A TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING OLEFIN POLYMERS SUMITOMO CHEMICAL CO (JP) 2004-10-06 EP disclosed
US-6329478-B1 SOLUBILITY IN SATURATED HYDROCARBON SOLVENTS SUMITMO CHEMICAL COMPANY, LIMITED 2001-12-11 US disclosed
EP-0842939-A1 TRANSITION METAL COMPLEX, PROCESS FOR THE PREPARATION THEREOF, POLYMERIZATION CATALYST FOR OLEFINS CONTAINING THE COMPLEX, AND PROCESS FOR PRODUCING OLEFIN POLYMERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-05-20 EP disclosed