SCHEMBL8716192

SCHEMBL8716192

COc1ccc(-c2ccc(CCC(OC(CCc3ccc(-c4ccc(OC)cc4)cc3)c3ccccc3)c3ccccc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
LTA4H P09960 1/20 0.46
ALDH1A1 P00352 2/20 0.46
SIGMAR1 Q99720 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MMP12 P39900 1/20 0.43
ABCB1 P08183 1/20 0.43
F2 P00734 1/20 0.43
PRSS1 P07477 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
SCHEMBL24371959 0.80 KMT2A (0.59) KMT2AMEN1LTA4HALDH1A1SMN1; SMN2
SCHEMBL28902075 0.80 IDO1 (0.50) ALDH1A1SIGMAR1SMN1; SMN2F2PRSS1
SCHEMBL9232177 0.79 MEN1 (0.54) KMT2AMEN1LTA4HALDH1A1SIGMAR1
SCHEMBL1162783 0.76 CYP1A2 (0.57) KMT2AMEN1LTA4HALDH1A1SMN1; SMN2
SCHEMBL14839516 0.76 TDP1 (0.60) KMT2AMEN1LTA4HALDH1A1SMN1; SMN2
SCHEMBL9379292 0.76 MMP12 (0.47) MMP12ABCB1F2PRSS1
SCHEMBL28347286 0.74 ALDH1A1 (0.60) LTA4HALDH1A1SIGMAR1SMN1; SMN2HTT
SCHEMBL28347287 0.74 ALDH1A1 (0.60) LTA4HALDH1A1SIGMAR1SMN1; SMN2HTT
SCHEMBL25620278 0.74 KMT2A (0.56) KMT2AMEN1LTA4HALDH1A1SMN1; SMN2
SCHEMBL7707362 0.73 IDO1 (0.47) MMP12ABCB1F2PRSS1

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-5849217-A Optically active compound, liquid crystal composition containing the same, liquid crystal device using the same, liquid crystal apparatus and display method CANON KABUSHIKI KAISHA (JP) 1998-12-15 US disclosed