SCHEMBL819174

SCHEMBL819174

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA7 P43166 3/20 0.33
CA9 Q16790 3/20 0.33
CA14 Q9ULX7 3/20 0.33
ADORA2B P29275 4/20 0.32
FUCA1 P04066 1/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 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
SCHEMBL818207 0.77 KCNH2 (0.38) KDM4EALDH1A1LMNAHSD17B10GAA
SCHEMBL819492 0.77 ALDH1A1 (0.34) KDM4EALDH1A1USP2LMNAHSD17B10
SCHEMBL817269 0.76 ALDH1A1 (0.39) KDM4EALDH1A1HSD17B10GAAMAPT
SCHEMBL819433 0.75 GAA (0.40) KDM4EALDH1A1LMNAHSD17B10MEN1
SCHEMBL819318 0.72 KDM4E (0.36) KDM4EALDH1A1USP2LMNAHSD17B10
SCHEMBL818890 0.71 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10TDP1ADORA2B
SCHEMBL818092 0.70 ALDH1A1 (0.36) KDM4EALDH1A1USP2LMNAHSD17B10
SCHEMBL817755 0.70 TSHR (0.42) ALDH1A1LMNAHSD17B10MAPT
SCHEMBL5729206 0.68 CHRNA1 (0.35) KDM4EALDH1A1USP2LMNAHSD17B10
SCHEMBL28652594 0.67 ALDH1A1 (0.34) KDM4EALDH1A1USP2LMNAHSD17B10

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