SCHEMBL5079930

SCHEMBL5079930

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 3/20 0.47
AKR1B1 P15121 3/20 0.47
CA12 O43570 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CASP1 P29466 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
MMP1 P03956 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
GLA P06280 1/20 0.38

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
SCHEMBL5079932 1.00 AKR1B10 (0.47) AKR1B10AKR1B1CA12CA7CA9
SCHEMBL5083451 0.90 ALDH1A1 (0.44) AKR1B10AKR1B1CA12CA7CA9
SCHEMBL5083454 0.90 ALDH1A1 (0.44) AKR1B10AKR1B1CA12CA7CA9
SCHEMBL5082126 0.89 ALDH1A1 (0.44) AKR1B10AKR1B1CA12CA7CA9
SCHEMBL5082122 0.89 ALDH1A1 (0.44) AKR1B10AKR1B1CA12CA7CA9
SCHEMBL5941378 0.89 KMT2A (0.46) AKR1B10AKR1B1CA12CA7CA9
SCHEMBL5941381 0.89 KMT2A (0.46) AKR1B10AKR1B1CA12CA7CA9
SCHEMBL5085907 0.88 ALDH1A1 (0.43) AKR1B10AKR1B1CA12CA7CA9
SCHEMBL5085903 0.88 ALDH1A1 (0.43) AKR1B10AKR1B1CA12CA7CA9
SCHEMBL5080000 0.86 AKR1B10 (0.50) AKR1B10AKR1B1CA12CA7CA9

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 3 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