SCHEMBL9400262

SCHEMBL9400262

COc1ccc(-c2ccc(OCCN3CCCC3)cc2)c(Cc2ccc(Cl)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 10/20 0.65
PTGS2 P35354 1/20 0.54
PSMB1 P20618 1/20 0.53
PSMB5 P28074 1/20 0.53
PSMB2 P49721 1/20 0.53
EBP Q15125 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
ESR1 P03372 7/20 0.51
HRH3 Q9Y5N1 1/20 0.49
ESR2 Q92731 2/20 0.49

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
SCHEMBL8932364 0.99 LTA4H (0.63) LTA4HPTGS2PSMB1PSMB5PSMB2
SCHEMBL9400242 0.89 LTA4H (0.61) LTA4HPSMB1PSMB5PSMB2EBP
SCHEMBL227235 0.87 LTA4H (0.61) LTA4HPSMB1PSMB5PSMB2EBP
SCHEMBL229153 0.87 LTA4H (0.61) LTA4HPSMB1PSMB5PSMB2EBP
SCHEMBL7440123 0.84 LTA4H (0.62) LTA4HPSMB1PSMB5PSMB2ESR1
SCHEMBL7439644 0.84 F2 (0.60) LTA4HPSMB1PSMB5PSMB2EBP
SCHEMBL7349591 0.82 LTA4H (0.70) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL7134872 0.80 LTA4H (1.00) LTA4HPTGS2PSMB1PSMB5PSMB2
SCHEMBL8951829 0.77 ESR1 (0.58) LTA4HPTGS2PSMB1PSMB5PSMB2
SCHEMBL13897535 0.77 ESR1 (0.72) LTA4HPSMB1PSMB5PSMB2EBP

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
US-5354861-A Binds to antiestrogen binding sites; antiproliferative activity NATIONAL UNIVERSITY OF SINGAPORE (SG) 1994-10-11 US claimed