SCHEMBL7469946

SCHEMBL7469946

CCON=C(C(C)=C(ON)c1ccccc1C(=COC)C(=O)OC)c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
HTR2A P28223 2/20 0.34
SLC6A4 P31645 2/20 0.34
KCNH2 Q12809 2/20 0.34
FFAR1 O14842 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP3A5 P20815 1/20 0.32
CYP2C19 P33261 1/20 0.32
BCL2L1 Q07817 1/20 0.32
MCL1 Q07820 1/20 0.32
KMO O15229 1/20 0.31
LGALS8 O00214 2/20 0.31
LGALS3 P17931 2/20 0.31
FNTA P49354 2/20 0.31
FNTB P49356 2/20 0.31
CHEK2 O96017 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7463037 0.92 SMN1; SMN2 (0.38) CYP3A4KDM4ESMN1; SMN2TDP1L3MBTL1
SCHEMBL7469591 0.89 RAB9A (0.31) ALDH1A1KDM4ESMN1; SMN2TDP1L3MBTL1
SCHEMBL7470568 0.87 MAPK14 (0.38) KDM4ESMN1; SMN2
SCHEMBL7467262 0.87 MAPK14 (0.39) CHEK2
SCHEMBL7742907 0.84 HIF1A (0.37) ALDH1A1CYP1A2CYP2D6CYP2C19FNTA
SCHEMBL7470227 0.83 HIF1A (0.42) BCL2L1MCL1KDM4ESMN1; SMN2TDP1
SCHEMBL7470381 0.83 HTR2A (0.34) HTR2ASLC6A4KCNH2FFAR1CYP1A2
SCHEMBL7469941 0.82 ALDH1A1 (0.35) ALDH1A1HTR2ASLC6A4KCNH2FFAR1
SCHEMBL7469944 0.82 ALDH1A1 (0.35) ALDH1A1HTR2ASLC6A4KCNH2FFAR1
SCHEMBL7467521 0.81 MAOB (0.40) ALDH1A1BCL2L1MCL1SMN1; SMN2TDP1

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-0865424-B1 PESTICIDES BAYER AG (DE) 2002-09-18 EP disclosed