SCHEMBL817772

SCHEMBL817772

CC1=CC=CC(C(=O)OC(C)C)C(C(=O)OC(C)C)=C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
USP2 O75604 1/20 0.34
CA12 O43570 4/20 0.33
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA7 P43166 4/20 0.33
CA9 Q16790 4/20 0.33
CA14 Q9ULX7 4/20 0.33
HPGD P15428 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL817766 0.80 CA12 (0.35) ALDH1A1LMNAKDM4EHSD17B10USP2
SCHEMBL818078 0.78 KDM4E (0.35) ALDH1A1LMNAKDM4EHSD17B10USP2
SCHEMBL818893 0.77 TDP1 (0.31) ALDH1A1USP2MEN1KMT2AL3MBTL1
SCHEMBL818003 0.73 KDM4E (0.34) ALDH1A1LMNAKDM4EHSD17B10USP2
SCHEMBL819318 0.67 KDM4E (0.36) ALDH1A1LMNAKDM4EHSD17B10USP2
SCHEMBL818092 0.67 ALDH1A1 (0.36) ALDH1A1LMNAKDM4EHSD17B10USP2
SCHEMBL27548114 0.65 TSHR (0.31) CA12CA1CA2CA7CA9
SCHEMBL818107 0.63 ALDH1A1 (0.35) ALDH1A1LMNAKDM4EHSD17B10USP2
SCHEMBL818399 0.63 CA12 (0.40) ALDH1A1LMNAKDM4EHSD17B10USP2
SCHEMBL819174 0.62 KDM4E (0.37) ALDH1A1LMNAKDM4EHSD17B10USP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236908-B2 Components and catalysts for the polymerization of olefins SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-07 US disclosed
US-20110269927-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-03 US disclosed