SCHEMBL10688643

SCHEMBL10688643

COc1ccc(CC(=O)c2ccc(OCCN3CCCCC3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.66
PSMB1 P20618 4/20 0.64
PSMB5 P28074 4/20 0.64
PSMB2 P49721 3/20 0.64
HRH3 Q9Y5N1 3/20 0.63
ALDH1A1 P00352 5/20 0.63
MAPT P10636 4/20 0.63
LMNA P02545 3/20 0.63
POLB P06746 2/20 0.63
MEN1 O00255 1/20 0.63
HTT P42858 1/20 0.63
KMT2A Q03164 1/20 0.63
KDM4E B2RXH2 2/20 0.61
DRD3 P35462 3/20 0.60
DRD2 P14416 2/20 0.60
THRB P10828 3/20 0.59
CYP1A2 P05177 1/20 0.59
CHRM2 P08172 1/20 0.59
CHRM4 P08173 1/20 0.59
CHRM5 P08912 1/20 0.59

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
SCHEMBL7036874 0.99 LTA4H (0.67) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL10685703 0.88 LTA4H (0.70) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL5725767 0.88 LTA4H (0.67) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL10676277 0.86 LTA4H (0.71) LTA4HPSMB1PSMB5PSMB2HTT
SCHEMBL7205222 0.84 LTA4H (0.62) LTA4HPSMB1PSMB5PSMB2ALDH1A1
SCHEMBL15257179 0.83 LTA4H (0.82) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL14970684 0.83 LTA4H (0.82) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL12315758 0.82 KDM4E (0.63) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL14287617 0.82 SMN1; SMN2 (0.76) PSMB1PSMB5PSMB2HRH3ALDH1A1
SCHEMBL4092312 0.82 PSMB1 (0.66) LTA4HPSMB1PSMB5PSMB2HRH3

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-4764533-A ANTITUMOR KLINGE PHARMA GMBH (DE) 1988-08-16 US disclosed