SCHEMBL888479

SCHEMBL888479

CCOCC(C(=O)OC)C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
THRB P10828 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 4/20 0.38
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
SLC6A3 Q01959 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL819688 0.98 ALDH1A1 (0.40) ALDH1A1NPSR1THRBTP53TSHR
SCHEMBL819301 0.88 CYP2D6 (0.43) ALDH1A1NPSR1THRBTSHRATM
SCHEMBL888438 0.86 ALDH1A1 (0.44) ALDH1A1NPSR1THRBTSHRATM
SCHEMBL820265 0.84 NPSR1 (0.42) ALDH1A1NPSR1THRBTP53TSHR
SCHEMBL28488230 0.82 CYP2C9 (0.42) ALDH1A1NPSR1THRBTSHRATM
SCHEMBL12401977 0.82 NPSR1 (0.44) ALDH1A1NPSR1THRBTP53TSHR
SCHEMBL819467 0.82 NPSR1 (0.44) ALDH1A1NPSR1THRBTP53TSHR
SCHEMBL819818 0.81 ALDH1A1 (0.33) ALDH1A1NPSR1THRBTSHRATM
SCHEMBL28902148 0.81 CYP2C9 (0.44) ALDH1A1NPSR1THRBTSHRATM
SCHEMBL13545056 0.80 TP53 (0.44) ALDH1A1NPSR1THRBTP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190464-A1 PROCESS FOR PRODUCING SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-25 US disclosed
US-20130109789-A1 OLEFIN POLYMERIZATION CATALYST, PROCESS FOR PRODUCING OLEFIN POLYMER, POLYPROPYLENE RESIN COMPOSITION AND ARTICLE COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-02 US disclosed
US-8288488-B2 Process for producing solid catalyst component for olefin polymerization SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-16 US disclosed
US-20110269928-A1 PROCESS FOR PRODUCING SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-03 US disclosed