SCHEMBL5082833

SCHEMBL5082833

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 4/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
ADRB2 P07550 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
SCHEMBL5082847 0.88 TSHR (0.47) PDCD1CD274SMN1; SMN2NPC1RAB9A
SCHEMBL5079860 0.87 TSHR (0.47) PDCD1CD274SMN1; SMN2NPC1RAB9A
SCHEMBL5082891 0.87 MEN1 (0.47) PDCD1CD274SMN1; SMN2NPC1RAB9A
SCHEMBL5082830 0.87 PDCD1 (0.51) PDCD1CD274SMN1; SMN2NPC1RAB9A
SCHEMBL5941374 0.86 TSHR (0.51) PDCD1CD274SMN1; SMN2NPC1RAB9A
SCHEMBL5083408 0.84 PDCD1 (0.49) PDCD1CD274SMN1; SMN2NPC1RAB9A
SCHEMBL5079972 0.84 PDCD1 (0.49) PDCD1CD274SMN1; SMN2NPC1RAB9A
SCHEMBL5083415 0.82 PDCD1 (0.47) PDCD1CD274SMN1; SMN2NPC1RAB9A
SCHEMBL5083396 0.82 PDCD1 (0.47) PDCD1CD274SMN1; SMN2NPC1RAB9A
SCHEMBL571292 0.81 TSHR (0.52) PDCD1CD274SMN1; SMN2NPC1RAB9A

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