SCHEMBL9414909

SCHEMBL9414909

CC/C(=C(/c1ccc(OCCN2CCCC2)cc1)c1ccc(OC(=O)C2CC2)cc1)c1ccc2c(c1)OCO2

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.55
PSMB1 P20618 7/20 0.55
PSMB5 P28074 6/20 0.55
PSMB2 P49721 2/20 0.55
HRH3 Q9Y5N1 3/20 0.52
ESR2 Q92731 3/20 0.51
PDE1A P54750 1/20 0.51
PDE1B Q01064 1/20 0.51
PDE1C Q14123 1/20 0.51
KCNH2 Q12809 1/20 0.50
MAOB P27338 2/20 0.49
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL9414912 1.00 ESR1 (0.55) ESR1PSMB1PSMB5PSMB2HRH3
SCHEMBL9415440 0.92 ESR1 (0.62) ESR1PSMB1PSMB5PSMB2HRH3
SCHEMBL9415443 0.92 ESR1 (0.62) ESR1PSMB1PSMB5PSMB2HRH3
SCHEMBL9415055 0.87 ESR1 (0.64) ESR1PSMB1PSMB5PSMB2ESR2
SCHEMBL9415051 0.87 ESR1 (0.64) ESR1PSMB1PSMB5PSMB2ESR2
SCHEMBL9415393 0.86 POLB (0.56) ALDH1A1
SCHEMBL9415397 0.86 POLB (0.56) ALDH1A1
SCHEMBL9415764 0.86 POLB (0.56) ALDH1A1
SCHEMBL9415767 0.86 POLB (0.56) ALDH1A1
SCHEMBL9415631 0.86 PSMB1 (0.74) ESR1PSMB1PSMB5PSMB2ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0589039-A1 TRIPHENYLETHYLENE DERIVATIVE AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1994-03-30 EP disclosed