SCHEMBL818092

SCHEMBL818092

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADORA2B P29275 7/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA7 P43166 3/20 0.32
CA9 Q16790 3/20 0.32
CA14 Q9ULX7 3/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.31
PABPC1 P11940 1/20 0.31
EIF4H Q15056 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
SCHEMBL819759 0.78 KCNH2 (0.34) ALDH1A1KDM4EHSD17B10TSHRL3MBTL1
SCHEMBL818284 0.77 ALDH1A1 (0.38) ALDH1A1HSD17B10ADORA2BMAPTTSHR
SCHEMBL819492 0.75 ALDH1A1 (0.34) ALDH1A1KDM4EUSP2LMNAHSD17B10
SCHEMBL817737 0.74 ALDH1A1 (0.38) ALDH1A1KDM4ELMNAHSD17B10ADORA2B
SCHEMBL818501 0.72 ALDH1A1 (0.36) ALDH1A1KDM4ELMNAADORA2BTDP1
SCHEMBL820015 0.70 L3MBTL1 (0.40) ALDH1A1KDM4ELMNAMAPTTDP1
SCHEMBL817766 0.70 CA12 (0.35) ALDH1A1KDM4EUSP2LMNAHSD17B10
SCHEMBL24471455 0.70 TSHR (0.33) ALDH1A1KDM4EUSP2LMNAHSD17B10
SCHEMBL819174 0.70 KDM4E (0.37) ALDH1A1KDM4EUSP2LMNAHSD17B10
SCHEMBL818714 0.69 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAHSD17B10MAPT

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