SCHEMBL2044865

SCHEMBL2044865

C=CCC1(C/C=C/CC)C(=O)c2ccccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.37
CYP2D6 P10635 1/20 0.35
ALDH1A1 P00352 4/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
ALOX12 P18054 2/20 0.33
RECQL P46063 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CASP1 P29466 1/20 0.33
CA7 P43166 1/20 0.33
BACE1 P56817 1/20 0.33
CA9 Q16790 1/20 0.33
EHMT2 Q96KQ7 1/20 0.33
CASP3 P42574 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
GAA P10253 2/20 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
SCHEMBL2044868 1.00 PGR (0.37) PGRCYP2D6ALDH1A1L3MBTL1TSHR
SCHEMBL2050830 0.88 CYP2D6 (0.36) PGRCYP2D6ALDH1A1L3MBTL1TSHR
SCHEMBL2050828 0.88 CYP2D6 (0.36) PGRCYP2D6ALDH1A1L3MBTL1TSHR
SCHEMBL2047434 0.86 PGR (0.44) PGRCYP2D6ALDH1A1L3MBTL1TSHR
SCHEMBL2051158 0.85 PGR (0.38) PGRCYP2D6ALDH1A1L3MBTL1TSHR
SCHEMBL2051159 0.85 PGR (0.38) PGRCYP2D6ALDH1A1L3MBTL1TSHR
SCHEMBL2047475 0.85 CPT1A (0.35) PGRCYP2D6ALDH1A1TSHRNPSR1
SCHEMBL2047477 0.85 CPT1A (0.35) PGRCYP2D6ALDH1A1TSHRNPSR1
SCHEMBL2045775 0.84 CPT1A (0.37) CYP2D6CPT1A
SCHEMBL2045778 0.84 CPT1A (0.37) CYP2D6CPT1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964691-B2 5,5-diallyl-2,2-dimethyl-1,3-dioxane as monomer units; polymerization catalysts; heat resistance SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-21 US disclosed
WO-2009038006-A1 RANDOM COPOLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-26 WO disclosed
WO-2009038031-A1 BLOCK COPOLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-26 WO disclosed
US-20080221287-A1 DIENE POLYMER AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-11 US disclosed
US-20080214755-A1 OLEFIN-DIENE COPOLYMER AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-04 US disclosed