SCHEMBL8718240

SCHEMBL8718240

O=Cc1ccc(/C=C/CN2CCCCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.66
HRH3 Q9Y5N1 2/20 0.54
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPK1 P28482 2/20 0.48
TRIM24 O15164 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
SIGMAR1 Q99720 2/20 0.44
APP P05067 1/20 0.44
LMNA P02545 3/20 0.43
CYP3A4 P08684 2/20 0.43
HIF1A Q16665 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
GMNN O75496 1/20 0.43
ABCB11 O95342 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43

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
SCHEMBL6607676 1.00 LTA4H (0.66) LTA4HHRH3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6606769 0.83 LTA4H (0.50) LTA4HALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL3805981 0.82 LTA4H (0.61) LTA4HHRH3ALDH1A1KDM4EMAPK1
SCHEMBL3450537 0.82 LTA4H (0.61) LTA4HHRH3ALDH1A1SMN1; SMN2MAPK1
SCHEMBL29253444 0.82 LTA4H (0.61) LTA4HHRH3ALDH1A1MAPK1SIGMAR1
SCHEMBL3450541 0.82 LTA4H (0.61) LTA4HHRH3ALDH1A1SMN1; SMN2MAPK1
SCHEMBL14924490 0.82 LTA4H (0.61) LTA4HHRH3ALDH1A1MAPK1SIGMAR1
SCHEMBL18085065 0.82 LTA4H (0.61) LTA4HHRH3ALDH1A1MAPK1SIGMAR1
SCHEMBL6189046 0.82 LTA4H (0.61) LTA4HHRH3ALDH1A1SMN1; SMN2MAPK1
SCHEMBL18085066 0.82 LTA4H (0.61) LTA4HHRH3ALDH1A1KDM4EMAPK1

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-5840721-A INCREASE SENSITIVITY OF MULTIDRUG RESISTANT TUMOR CELLS TO ANTICANCER AGENTS ONTOGEN CORPORATION (US) 1998-11-24 US disclosed