SCHEMBL5082889

SCHEMBL5082889

CC(C)OC(=O)C(C(C)C)C(C)OC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.54
CD274 Q9NZQ7 1/20 0.54
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.49
TSHR P16473 3/20 0.47
TP53 P04637 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
F2 P00734 1/20 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
SCHEMBL5082327 0.87 TSHR (0.52) PDCD1CD274NPC1RAB9ALMNA
SCHEMBL5941267 0.85 TSHR (0.56) PDCD1CD274NPC1RAB9ALMNA
SCHEMBL5082095 0.84 NPC1 (0.49) PDCD1CD274NPC1RAB9ALMNA
SCHEMBL5083407 0.83 PDCD1 (0.57) PDCD1CD274NPC1RAB9ALMNA
SCHEMBL5083487 0.83 TSHR (0.49) PDCD1CD274NPC1RAB9ALMNA
SCHEMBL5082123 0.81 PDCD1 (0.51) PDCD1CD274NPC1RAB9ALMNA
SCHEMBL14770954 0.81 TSHR (0.59) PDCD1CD274NPC1RAB9ALMNA
SCHEMBL442093 0.81 TSHR (0.59) PDCD1CD274NPC1RAB9ALMNA
SCHEMBL14770956 0.81 TSHR (0.59) PDCD1CD274NPC1RAB9ALMNA
SCHEMBL13700339 0.80 TSHR (0.63) PDCD1CD274NPC1RAB9ALMNA

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
EP-1746110-B1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION REACTION AND CATALYST THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2015-03-11 EP disclosed
US-7351778-B2 Catalyst component for olefin polymerization and catalyst comprising the same CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-04-01 US disclosed
EP-1746110-A1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION REACTION AND CATALYST THEREOF China Petroleum & Chemical Corporation (CN) 2007-01-24 EP disclosed
US-20060287446-A1 Catalyst component for olefin polymerization and catalyst comprising the same BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY CHINA PETROLEUM & CHEMICAL COPORATION (CN) 2006-12-21 US disclosed