SCHEMBL5085984

SCHEMBL5085984

COc1c(C(C)(C)C)cc(C)cc1C(C)(C)C1=CC(C)=CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.36
ALDH1A1 P00352 2/20 0.33
CA2 P00918 1/20 0.33
POLB P06746 1/20 0.33
TYR P14679 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
DHFR P00374 1/20 0.32
ACHE P22303 1/20 0.31
PTGS1 P23219 1/20 0.31

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
SCHEMBL5090063 0.87 PTGS2 (0.35) PTGS2ALDH1A1CA2POLBTYR
SCHEMBL3679367 0.81 PTGS2 (0.33) PTGS2ALDH1A1CA2POLBTYR
SCHEMBL3672943 0.78 PTGS2 (0.37) PTGS2ALDH1A1CA2POLBTYR
SCHEMBL5857102 0.77 ALDH1A1 (0.52) PTGS2ALDH1A1CA2POLBTYR
SCHEMBL3678960 0.77 PTGS2 (0.33) PTGS2ALDH1A1CA2POLBTYR
SCHEMBL3681387 0.76 PTGS2 (0.38) PTGS2ALDH1A1CA2POLBTYR
SCHEMBL3681015 0.75 PTGS2 (0.37) PTGS2ALDH1A1CA2POLBTYR
SCHEMBL3681544 0.71
SCHEMBL3677330 0.71 PTGS2 (0.33) PTGS2ALDH1A1CA2POLBTYR
SCHEMBL6673542 0.70 ALDH1A1 (0.45) PTGS2ALDH1A1CA2POLBTYR

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