SCHEMBL9856659

SCHEMBL9856659

OC(C#CC#CC(O)c1ccccc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.66
CACNB2 Q08289 1/20 0.66
CACNA1C Q13936 1/20 0.66
TSHR P16473 1/20 0.58
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 2/20 0.48
HTT P42858 1/20 0.47
LMNA P02545 5/20 0.42
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP2D6 P10635 1/20 0.39
SRC P12931 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 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
SCHEMBL9547891 0.89 TSHR (0.64) CACNA2D1CACNB2CACNA1CTSHRALDH1A1
SCHEMBL28347779 0.89 CACNA2D1 (0.61) CACNA2D1CACNB2CACNA1CTSHRALDH1A1
SCHEMBL25037614 0.85 CACNA2D1 (0.53) CACNA2D1CACNB2CACNA1CTSHRALDH1A1
SCHEMBL9619367 0.82 TSHR (0.56) CACNA2D1CACNB2CACNA1CTSHRALDH1A1
SCHEMBL9996023 0.80 TSHR (0.60) CACNA2D1CACNB2CACNA1CTSHRALDH1A1
SCHEMBL9119346 0.80 TSHR (0.54) CACNA2D1CACNB2CACNA1CTSHRALDH1A1
SCHEMBL96275 0.80 TSHR (0.54) CACNA2D1CACNB2CACNA1CTSHRALDH1A1
SCHEMBL23996119 0.80 TSHR (0.54) CACNA2D1CACNB2CACNA1CTSHRALDH1A1
SCHEMBL9389599 0.80 TSHR (0.60) CACNA2D1CACNB2CACNA1CTSHRALDH1A1
SCHEMBL15283729 0.80 TSHR (0.60) CACNA2D1CACNB2CACNA1CTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5041620-A Method for producing optically active 2-cyclopenten-4-one-1-ol esters, 2-cyclopenteno-4-one-1-ol ester and complexes thereof with optically active 1,6-diphenyl-2,4-hexadiyne-1,6-diol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-08-20 US claimed
JP-62129249-A None JP disclosed
JP-62142130-A None JP disclosed
JP-63179848-A None JP disclosed
US-5041620-A Method for producing optically active 2-cyclopenten-4-one-1-ol esters, 2-cyclopenteno-4-one-1-ol ester and complexes thereof with optically active 1,6-diphenyl-2,4-hexadiyne-1,6-diol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-08-20 US disclosed
US-5041620-A Method for producing optically active 2-cyclopenten-4-one-1-ol esters, 2-cyclopenteno-4-one-1-ol ester and complexes thereof with optically active 1,6-diphenyl-2,4-hexadiyne-1,6-diol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-08-20 US disclosed
US-5041620-A Method for producing optically active 2-cyclopenten-4-one-1-ol esters, 2-cyclopenteno-4-one-1-ol ester and complexes thereof with optically active 1,6-diphenyl-2,4-hexadiyne-1,6-diol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-08-20 US disclosed
JP-S63179848-A PRODUCTION OF OPTICALLY ACTIVE 2-CYCLOPENTEN-4-ON-1-OL ESTERS SUMITOMO CHEM CO LTD 1988-07-23 JP disclosed
JP-S62142130-A OPTICALLY ACTIVE CYCLOPENTENONE ESTER COMPLEX AND ITS PREPARATION SUMITOMO CHEM CO LTD 1987-06-25 JP disclosed
JP-S62129249-A PRODUCTION OF ESTER OF OPTICALLY ACTIVE 2-CYCLOPENTEN-4-ON-1-OL SUMITOMO CHEM CO LTD 1987-06-11 JP disclosed