SCHEMBL9415575

SCHEMBL9415575

CCC(=C(c1ccc(OCCN2CCCC2)cc1)c1ccc(OP(O)O)cc1)c1ccc2c(c1)OCO2

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 9/20 0.59
PSMB5 P28074 8/20 0.59
ESR1 P03372 7/20 0.59
PSMB2 P49721 3/20 0.59
PDE1A P54750 5/20 0.54
PDE1B Q01064 5/20 0.54
PDE1C Q14123 5/20 0.54
ESR2 Q92731 2/20 0.54
KCNH2 Q12809 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53

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
SCHEMBL9415574 1.00 PSMB1 (0.59) PSMB1PSMB5ESR1PSMB2PDE1A
SCHEMBL9415300 0.89 ESR1 (0.62) PSMB1PSMB5ESR1PSMB2PDE1A
SCHEMBL9415307 0.89 ESR1 (0.62) PSMB1PSMB5ESR1PSMB2PDE1A
SCHEMBL9415631 0.89 PSMB1 (0.74) PSMB1PSMB5ESR1PSMB2PDE1A
SCHEMBL9415633 0.89 PSMB1 (0.74) PSMB1PSMB5ESR1PSMB2PDE1A
SCHEMBL9414738 0.88 PSMB1 (0.60) PSMB1PSMB5ESR1PSMB2PDE1A
SCHEMBL9415440 0.88 ESR1 (0.62) PSMB1PSMB5ESR1PSMB2PDE1A
SCHEMBL9414739 0.88 PSMB1 (0.60) PSMB1PSMB5ESR1PSMB2PDE1A
SCHEMBL9415443 0.88 ESR1 (0.62) PSMB1PSMB5ESR1PSMB2PDE1A
SCHEMBL9414805 0.85 POLB (0.60)

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