SCHEMBL5083726

SCHEMBL5083726

CCCCCCC1=Cc2ccccc2[C]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.39
KCNH2 Q12809 3/20 0.38
PTPN1 P18031 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
CNR1 P21554 1/20 0.35
ESR1 P03372 2/20 0.34
ADRA2A P08913 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
TACR2 P21452 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SHBG P04278 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL5090113 1.00 LIPG (0.39) LIPGKCNH2PTPN1NR1H2NR1H3
SCHEMBL5090629 0.98 LIPG (0.36) LIPGKCNH2PTPN1NR1H2NR1H3
SCHEMBL5086386 0.93 SIGMAR1 (0.33) LIPGSIGMAR1
SCHEMBL5086961 0.85
SCHEMBL218346 0.66 LIPG (0.46) LIPGKCNH2PTPN1NR1H2NR1H3
SCHEMBL10606408 0.66 PTPN1 (0.60) LIPGKCNH2PTPN1NR1H2NR1H3
SCHEMBL3684071 0.66 LIPG (0.46) LIPGKCNH2PTPN1NR1H2NR1H3
SCHEMBL1343771 0.64 LIPG (0.69) LIPGKCNH2NR1H2NR1H3TP53
SCHEMBL7516668 0.64 LIPG (0.69) LIPGKCNH2NR1H2NR1H3TP53
SCHEMBL15809821 0.64 LIPG (0.69) LIPGKCNH2NR1H2NR1H3TP53

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