SCHEMBL5083363

SCHEMBL5083363

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 2/20 0.55
AKR1B1 P15121 2/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
ALDH1A1 P00352 2/20 0.48
LMNA P02545 3/20 0.48
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
GLA P06280 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 2/20 0.43
RECQL P46063 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HDAC3 O15379 1/20 0.43
TNKS O95271 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
SCHEMBL5083366 1.00 AKR1B10 (0.55) AKR1B10AKR1B1CA12CA1CA2
SCHEMBL5085921 0.88 ALDH1A1 (0.48) AKR1B10AKR1B1CA12CA1CA2
SCHEMBL5085917 0.88 ALDH1A1 (0.48) AKR1B10AKR1B1CA12CA1CA2
SCHEMBL5941427 0.86 AKR1B10 (0.51) AKR1B10AKR1B1CA12CA1CA2
SCHEMBL5941424 0.86 AKR1B10 (0.51) AKR1B10AKR1B1CA12CA1CA2
Isopropyl Cinnamate SCHEMBL11996898 0.86 AKR1B10 (0.72) AKR1B10AKR1B1CA12CA1CA2
Isopropyl Cinnamate SCHEMBL133105 0.86 AKR1B10 (0.72) AKR1B10AKR1B1CA12CA1CA2
Isopropyl Cinnamate SCHEMBL133104 0.86 AKR1B10 (0.72) AKR1B10AKR1B1CA12CA1CA2
SCHEMBL14960686 0.86 AKR1B10 (0.57) AKR1B10AKR1B1CA12CA1CA2
SCHEMBL5083385 0.86 AKR1B10 (0.52) AKR1B10AKR1B1CA12CA1CA2

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