SCHEMBL5089891

SCHEMBL5089891

CCCCCc1cc(Br)c(OC)c(CCCCC)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.45
THRA P10827 4/20 0.44
THRB P10828 4/20 0.44
CYP3A4 P08684 1/20 0.42
ALOX5 P09917 8/20 0.41

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
SCHEMBL20226039 0.82 PTGS2 (0.44) PTGS2CYP3A4ALOX5
SCHEMBL6675355 0.80 PTGS2 (0.45) PTGS2CYP3A4ALOX5
SCHEMBL5090067 0.79 THRA (0.42) PTGS2THRATHRBCYP3A4
SCHEMBL24503610 0.78 MAPT (0.39) ALOX5
SCHEMBL5398304 0.77 THRA (0.41) PTGS2THRATHRBCYP3A4ALOX5
SCHEMBL5138127 0.76 PTGS2 (0.53) PTGS2CYP3A4ALOX5
SCHEMBL5086548 0.75 PTGS2 (0.41) PTGS2CYP3A4ALOX5
SCHEMBL10602387 0.75 PTGS2 (0.50) PTGS2CYP3A4ALOX5
SCHEMBL10835547 0.73 THRB (0.48) THRATHRB
SCHEMBL5514786 0.73 PTGS2 (0.61) PTGS2ALOX5

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