SCHEMBL5090216

SCHEMBL5090216

[Li]C1=C(CCCCCC)C=CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.34
BACE1 P56817 1/20 0.34
PTGS2 P35354 3/20 0.33
ESR1 P03372 2/20 0.33
ADRA2A P08913 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
TACR2 P21452 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
KCNH2 Q12809 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SHBG P04278 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
HSPD1 P10809 1/20 0.33
ADRB3 P13945 1/20 0.33
HTR2C P28335 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
SCHEMBL28456647 1.00 ACHE (0.34) ACHEBACE1PTGS2ESR1ADRA2A
SCHEMBL7203737 0.98 ACHE (0.32) ACHEBACE1PTGS2ESR1ADRA2A
SCHEMBL253610 0.92
SCHEMBL1921674 0.84
SCHEMBL5345920 0.78 SCD (0.39) ACHEBACE1PTGS2ESR1ADRA2A
SCHEMBL8951736 0.78 SCD (0.39) ACHEBACE1PTGS2ESR1ADRA2A
SCHEMBL6911326 0.77 SCD (0.38) ACHEBACE1PTGS2ESR1ADRA2A
SCHEMBL6905193 0.77 SCD (0.38) ACHEBACE1PTGS2ESR1ADRA2A
SCHEMBL7198358 0.77 SCD (0.38) ACHEBACE1PTGS2ESR1ADRA2A
SCHEMBL28453538 0.77 ACHE (0.34) ACHEBACE1PTGS2ESR1ADRA2A

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 9 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
CN-1185236-C Transition metal compound, its producing process olefine polymerization catalyst containing the same transition metal compound and process for producing olefine polymer SUMITOMO CHEMICAL CO (JP) 2005-01-19 CN 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
CN-1310183-A Transition metal compound, its producing process olefine polymerization catalyst containing the same transition metal compound and process for producing olefine polymer SUMITOMO CHEMICAL CO (JP) 2001-08-29 CN disclosed
CN-1068884-C Transition metal complex, process for producing the same, olefin polymerization catalyst containing the transition metal complex, and process for producing olefin polymer SUMITOMO CHEM IND (JP) 2001-07-25 CN disclosed
CN-1193323-A Transition metal complex, process for producing the same, olefin polymerization catalyst containing the transition metal complex, and process for producing olefin polymer SUMITOMO CHEM IND (JP) 1998-09-16 CN 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