SCHEMBL818848

SCHEMBL818848

CC1CC=C(C(=O)OC(C)C)C(C(=O)OC(C)C)=CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.44
CA1 P00915 6/20 0.44
CA2 P00918 6/20 0.44
CA7 P43166 6/20 0.44
CA9 Q16790 6/20 0.44
CA14 Q9ULX7 6/20 0.44
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 2/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP4F2 P78329 1/20 0.35

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
SCHEMBL24471530 0.78 ALDH1A1 (0.40) CA12CA1CA2CA7CA9
SCHEMBL817072 0.78 CA1 (0.39) CA12CA1CA2CA7CA9
SCHEMBL818206 0.77 TSHR (0.47) ALDH1A1KDM4ETSHRMAPTTDP1
SCHEMBL818926 0.76 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL817062 0.74 ALDH1A1 (0.37) CA12CA1CA2CA7CA9
SCHEMBL818456 0.73 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL818505 0.73 ALDH1A1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL818675 0.73 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL817568 0.69 CA12 (0.37) CA12CA1CA2CA7CA9
SCHEMBL817720 0.69 CA12 (0.41) CA12CA1CA2CA7CA9

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