SCHEMBL819216

SCHEMBL819216

CCOC(=O)C1=C(C(=O)OCC)CCCC(C)=C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
KDM4E B2RXH2 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALOX15 P16050 2/20 0.42
ALDH1A1 P00352 6/20 0.38
HPGD P15428 4/20 0.38
GAA P10253 3/20 0.38
TSHR P16473 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 1/20 0.37
BRD4 O60885 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36

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
SCHEMBL817510 0.89 ALDH1A1 (0.42) MAPTKDM4EMEN1KMT2AALOX15
SCHEMBL819466 0.86 TSHR (0.43) ALDH1A1HPGDTSHRL3MBTL1RECQL
SCHEMBL818466 0.84 ALDH1A1 (0.41) MAPTKDM4EALDH1A1TSHRPOLB
SCHEMBL819970 0.84 ALDH1A1 (0.46) MAPTKDM4EALDH1A1TSHRPOLB
SCHEMBL28283233 0.80 KDM4E (0.55) MAPTKDM4EMEN1KMT2AALOX15
SCHEMBL817719 0.79 SLC6A3 (0.44) ALDH1A1
SCHEMBL817353 0.79 ALDH1A1 (0.51) ALDH1A1TSHRL3MBTL1RECQLTDP1
SCHEMBL234027 0.76 KDM4E (0.55) MAPTKDM4EMEN1KMT2AALOX15
SCHEMBL819252 0.75 SLC6A3 (0.46) MAPTKDM4EALOX15ALDH1A1HPGD
SCHEMBL818824 0.75 KMT2A (0.41) MAPTKDM4EMEN1KMT2AALOX15

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