SCHEMBL818669

SCHEMBL818669

CCOCC(C(=O)Cl)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
SHBG P04278 1/20 0.35
TSHR P16473 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
THRB P10828 1/20 0.34
ATM Q13315 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
EPHX1 P07099 2/20 0.33
CYP3A4 P08684 2/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL819818 0.98 ALDH1A1 (0.33) ALDH1A1NPSR1SHBGTSHRL3MBTL1
SCHEMBL819304 0.85 EPHX1 (0.36) ALDH1A1NPSR1SHBGATMCYP2C9
SCHEMBL28902148 0.84 CYP2C9 (0.44) ALDH1A1NPSR1SHBGTSHRL3MBTL1
SCHEMBL888438 0.83 ALDH1A1 (0.44) ALDH1A1NPSR1SHBGTSHRL3MBTL1
SCHEMBL820501 0.83 EPHX1 (0.33) CYP2C9CYP2C19HIF1AEPHX1MMP2
SCHEMBL28488230 0.82 CYP2C9 (0.42) ALDH1A1NPSR1SHBGTSHRL3MBTL1
SCHEMBL819198 0.82 NPSR1 (0.41) ALDH1A1NPSR1SHBGTSHRCYP2C9
SCHEMBL819688 0.81 ALDH1A1 (0.40) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL819301 0.81 CYP2D6 (0.43) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL820370 0.80 NPSR1 (0.38) ALDH1A1NPSR1TSHRTHRBCYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288488-B2 Process for producing solid catalyst component for olefin polymerization SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-16 US disclosed
US-20110269929-A1 PROCESS FOR PRODUCING SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-03 US disclosed
US-20110269928-A1 PROCESS FOR PRODUCING SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-03 US disclosed