SCHEMBL5086963

SCHEMBL5086963

CCCCc1ccc2c(c1CCCC)[C]c1ccccc1-2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.35
CTSG P08311 4/20 0.35
GPR3 P46089 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
TYR P14679 2/20 0.33
LIPG Q9Y5X9 1/20 0.32
TLR8 Q9NR97 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CTRC Q99895 1/20 0.30

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
SCHEMBL5086795 0.88 ELANE (0.33) ELANECTSG
SCHEMBL5087392 0.83 NR1H2 (0.38) ELANECTSGNR1H2NR1H3LIPG
SCHEMBL5086453 0.78 LIPG (0.44) ELANECTSGGPR3NR1H2NR1H3
SCHEMBL5085676 0.78 NPC1 (0.33) CYP2D6
SCHEMBL5090595 0.77 LIPG (0.46) ELANECTSGGPR3NR1H2NR1H3
SCHEMBL5086715 0.77 LIPG (0.46) ELANECTSGGPR3NR1H2NR1H3
SCHEMBL5083841 0.77 LIPG (0.46) ELANECTSGGPR3NR1H2NR1H3
SCHEMBL5086305 0.77 LIPG (0.46) ELANECTSGGPR3NR1H2NR1H3
SCHEMBL8067200 0.72 CNR2 (0.41) ELANECTSGNR1H2NR1H3LIPG
SCHEMBL5090001 0.72 ELANE (0.32) ELANECTSGNR1H2NR1H3

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