SCHEMBL818399

SCHEMBL818399

CC1C=CC=C(C(=O)OC(C)C)C(C(=O)OC(C)C)=C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.40
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40
CA7 P43166 6/20 0.40
CA9 Q16790 6/20 0.40
CA14 Q9ULX7 6/20 0.40
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 4/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.38
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32

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
SCHEMBL818118 0.81 CRHBP (0.35) CA12CA1CA2CA7CA9
SCHEMBL818505 0.72 ALDH1A1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL817190 0.68 CA12 (0.37) CA12CA1CA2CA7CA9
SCHEMBL22560940 0.67 ALDH1A1 (0.33) CA12CA1CA2CA7CA9
SCHEMBL818551 0.66 KDM4E (0.43) CA12CA1CA2CA7CA9
SCHEMBL817062 0.66 ALDH1A1 (0.37) CA12CA1CA2CA7CA9
SCHEMBL818848 0.65 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL22340610 0.64
SCHEMBL17209315 0.63 TSHR (0.31) HSD17B10KMT2ATDP1TSHR
SCHEMBL817772 0.63 ALDH1A1 (0.34) 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