SCHEMBL818003

SCHEMBL818003

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

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 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
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 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 0.77 CA12 (0.35) KDM4EUSP2ALDH1A1LMNAHSD17B10
SCHEMBL817772 0.73 ALDH1A1 (0.34) KDM4EUSP2ALDH1A1LMNAHSD17B10
SCHEMBL819492 0.65 ALDH1A1 (0.34) KDM4EUSP2ALDH1A1LMNAHSD17B10
SCHEMBL818092 0.64 ALDH1A1 (0.36) KDM4EUSP2ALDH1A1LMNAHSD17B10
SCHEMBL2267862 0.64 CA12 (0.41) KDM4EUSP2ALDH1A1LMNAHSD17B10
SCHEMBL818107 0.63 ALDH1A1 (0.35) KDM4EUSP2ALDH1A1LMNAHSD17B10
SCHEMBL819174 0.62 KDM4E (0.37) KDM4EUSP2ALDH1A1LMNAHSD17B10
SCHEMBL27548114 0.62 TSHR (0.31) CA12CA1CA2CA7CA9
SCHEMBL819318 0.61 KDM4E (0.36) KDM4EUSP2ALDH1A1LMNAHSD17B10
SCHEMBL818551 0.58 KDM4E (0.43) KDM4EUSP2ALDH1A1LMNAHSD17B10

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