SCHEMBL5083523

SCHEMBL5083523

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TSHR P16473 3/20 0.46
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
ADRB3 P13945 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
LMNA P02545 3/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL5082872 0.87 MEN1 (0.47) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL5082123 0.84 PDCD1 (0.51) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL5082896 0.84 TSHR (0.49) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL5083487 0.83 TSHR (0.49) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL5085911 0.82 TSHR (0.51) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL5941410 0.82 TSHR (0.58) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL5079860 0.79 TSHR (0.47) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL5085942 0.79 ALDH1A1 (0.47) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL5082874 0.78 ALDH1A1 (0.44) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL5082879 0.78 ALDH1A1 (0.44) ALDH1A1TSHRMEN1KMT2ALMNA

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