SCHEMBL817062

SCHEMBL817062

CC1C=C(C(=O)OC(C)C)C(C(=O)OC(C)C)=CCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA12 O43570 6/20 0.35
CA1 P00915 6/20 0.35
CA2 P00918 6/20 0.35
CA7 P43166 6/20 0.35
CA9 Q16790 6/20 0.35
CA14 Q9ULX7 6/20 0.35
ADORA2B P29275 4/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL819397 0.81 CHRM3 (0.35) ALDH1A1KDM4ELMNAHSD17B10MAPT
SCHEMBL818505 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EUSP2LMNAHSD17B10
SCHEMBL818063 0.80 ALDH1A1 (0.41) ALDH1A1ADORA2BMAPTTSHR
SCHEMBL817065 0.77 LMNA (0.38) ALDH1A1KDM4ELMNACA12CA1
SCHEMBL818926 0.77 CA12 (0.42) ALDH1A1KDM4EUSP2LMNAHSD17B10
SCHEMBL818362 0.75 ALDH1A1 (0.40) ALDH1A1KDM4ELMNAHSD17B10ADORA2B
SCHEMBL818848 0.74 CA12 (0.44) ALDH1A1KDM4EUSP2LMNAHSD17B10
SCHEMBL818810 0.73 TSHR (0.43) ALDH1A1LMNAHSD17B10HPGDTDP1
SCHEMBL818234 0.71 ALDH1A1 (0.46) ALDH1A1KDM4ELMNAHSD17B10MAPT
SCHEMBL818675 0.67 CA12 (0.40) ALDH1A1KDM4EUSP2LMNAHSD17B10

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