SCHEMBL5082327

SCHEMBL5082327

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
LMNA P02545 4/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TP53 P04637 1/20 0.47
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
KMT2A Q03164 3/20 0.45
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43

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
SCHEMBL5082889 0.87 PDCD1 (0.54) TSHRLMNANPC1RAB9AHTT
SCHEMBL5941267 0.85 TSHR (0.56) TSHRLMNANPC1RAB9AHTT
SCHEMBL5082095 0.84 NPC1 (0.49) TSHRLMNANPC1RAB9AHTT
SCHEMBL5082920 0.83 TSHR (0.55) TSHRLMNANPC1RAB9AHTT
SCHEMBL5083487 0.83 TSHR (0.49) TSHRLMNANPC1RAB9AHTT
SCHEMBL5082896 0.81 TSHR (0.49) TSHRLMNANPC1RAB9AHTT
SCHEMBL442093 0.81 TSHR (0.59) TSHRLMNANPC1RAB9AHTT
SCHEMBL14770956 0.81 TSHR (0.59) TSHRLMNANPC1RAB9AHTT
SCHEMBL14770954 0.81 TSHR (0.59) TSHRLMNANPC1RAB9AHTT
SCHEMBL13700339 0.80 TSHR (0.63) TSHRLMNANPC1RAB9AHTT

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