SCHEMBL5087025

SCHEMBL5087025

CC(C)(C)c1cccc2c1[C]c1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
KIF11 P52732 1/20 0.33
PTPN5 P54829 1/20 0.31
TRPA1 O75762 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL5090687 0.80 ALDH1A1 (0.31) ALDH1A1TSHRTDP1
SCHEMBL5083838 0.72
SCHEMBL5086311 0.69 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL8914611 0.69 ALDH1A1 (0.39) CA2ALDH1A1TSHRTDP1TRPA1
SCHEMBL3230880 0.69
SCHEMBL5083888 0.69 IDO1 (0.31)
SCHEMBL5086498 0.69 GABRA1 (0.39) CA2TSHRGABRA1GABRB2PTPN5
SCHEMBL5090542 0.69 GABRA1 (0.39) ALDH1A1GABRA1GABRB2
SCHEMBL1194484 0.69 ALDH1A1 (0.55) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL102781 0.68 MEN1 (0.37) ALDH1A1TSHRTDP1NPSR1

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