SCHEMBL2047434

SCHEMBL2047434

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.44
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA1 P00915 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
CA7 P43166 1/20 0.43
RECQL P46063 1/20 0.43
BACE1 P56817 1/20 0.43
EHMT2 Q96KQ7 1/20 0.43
CASP3 P42574 2/20 0.39
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.38

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
SCHEMBL2051158 0.88 PGR (0.38) PGRALDH1A1L3MBTL1CA2CA9
SCHEMBL2051159 0.88 PGR (0.38) PGRALDH1A1L3MBTL1CA2CA9
SCHEMBL2044868 0.86 PGR (0.37) PGRALDH1A1L3MBTL1CA2CA9
SCHEMBL2044865 0.86 PGR (0.37) PGRALDH1A1L3MBTL1CA2CA9
SCHEMBL2050828 0.83 CYP2D6 (0.36) PGRALDH1A1L3MBTL1CA2CA9
SCHEMBL2050830 0.83 CYP2D6 (0.36) PGRALDH1A1L3MBTL1CA2CA9
SCHEMBL2047475 0.81 CPT1A (0.35) PGRALDH1A1TSHRNPSR1CYP2D6
SCHEMBL2047477 0.81 CPT1A (0.35) PGRALDH1A1TSHRNPSR1CYP2D6
SCHEMBL2045778 0.80 CPT1A (0.37) CYP2D6
SCHEMBL2045775 0.80 CPT1A (0.37) CYP2D6

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
EP-3548501-B1 NOVEL RUTHENIUM COMPLEX, METHOD OF ITS PRODUCTION AND ITS USE IN REACTION OF OLEFINE METATHESIS UNIV WARSZAWSKI (PL) 2021-02-17 EP disclosed
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
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