SCHEMBL2050307

SCHEMBL2050307

CC(C)(C)c1cccc2c1-c1c(cccc1C(C)(C)C)[CH]2

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.48
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KIF11 P52732 1/20 0.35
ALOX12 P18054 1/20 0.34
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL2045383 0.85 CA2 (0.40) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL10523675 0.81 CA2 (0.60) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL28629170 0.79 CA2 (0.39) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL28614786 0.78 ALDH1A1 (0.39) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL4468064 0.78 ALDH1A1 (0.39) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL6723398 0.75 CA2 (0.35) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL14877302 0.72 GABRA1 (0.60) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL28154024 0.71 CA2 (0.44) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL7044050 0.71 GABRA1 (0.43) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL138253 0.70 CA2 (0.55) CA2GABRA1GABRB2ALDH1A1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152463-A1 RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-23 US disclosed
US-20100093957-A1 METHOD FOR PRODUCING BUTENE-ETHYLENE COPOLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-15 US disclosed
EP-2123685-A1 METHOD FOR PRODUCING BUTENE-ETHYLENE COPOLYMER Sumitomo Chemical Company, Limited (JP) 2009-11-25 EP disclosed