SCHEMBL11775737

SCHEMBL11775737

COc1c(C(C)C)cc(C)cc1C(C)C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.48
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
LMNA P02545 2/20 0.37
TRPA1 O75762 1/20 0.37
CHRM1 P11229 1/20 0.37
SLC6A2 P23975 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 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
SCHEMBL17658856 0.85 ACHE (0.40) ACHEPOLBGAAGFERLMNA
SCHEMBL11974268 0.85 LMNA (0.48) ACHEPOLBGAAGFERLMNA
SCHEMBL20749412 0.82 ALDH1A1 (0.41) ACHEPOLBADRA1ATDP1CA1
SCHEMBL9684253 0.80 POLB (0.39) ACHEPOLBGAAGFERLMNA
SCHEMBL14640958 0.80 GABRA1 (0.46) POLBGAAGFER
SCHEMBL12974481 0.78 LMNA (0.35) ACHEPOLBGAAGFERLMNA
SCHEMBL3817955 0.78 GAA (0.42) POLBGAAGFERTDP1
SCHEMBL3640929 0.78 GABRA1 (0.54) POLBGAAGFERCA2
SCHEMBL27959753 0.78 POLB (0.34) ACHEPOLBGAAGFERTDP1
SCHEMBL17132284 0.76 TUBB4A (0.39) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007005676-A2 ACTIVATOR COMPOSITIONS AND THEIR USE IN CATALYSTS AND OLEFIN POLYMERIZATION ALBEMARLE CORPORATION (US) 2007-01-11 WO disclosed
WO-2007005921-A2 BRONSTED ACIDIC ALUMINOXANE COMPOSITIONS AND THEIR USE IN OLEFIN POLYMERIZATION CATALYST COMPOSITIONS ALBEMARLE CORPORATION (US) 2007-01-11 WO disclosed
CN-1290161-A Nuclear receptor ligands and ligand binding domains UNIV CALIFORNIA (US) 2001-04-04 CN disclosed
US-3983292-A Pressure sensitive recording papers SANKO CHEMICAL COMPANY LTD. (JA) 1976-09-28 US disclosed