SCHEMBL9845668

SCHEMBL9845668

CC(CO)Cc1cccc(OCc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.60
CYP4A11 Q02928 1/20 0.60
MAOB P27338 4/20 0.55
BCHE P06276 6/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NR4A2 P43354 1/20 0.51
PTGES O14684 1/20 0.51
MME P08473 1/20 0.51
ACE P12821 1/20 0.51
CPA1 P15085 1/20 0.51
ACE2 Q9BYF1 1/20 0.51
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYSLTR2 Q9NS75 2/20 0.49
CYSLTR1 Q9Y271 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
SCHEMBL24646119 0.86 MAOB (0.57) CYP4F2CYP4A11MAOBBCHEMEN1
SCHEMBL24645961 0.86 MAOB (0.57) CYP4F2CYP4A11MAOBBCHEMEN1
SCHEMBL6044633 0.85 CYP4F2 (0.57) CYP4F2CYP4A11MAOBBCHEMEN1
SCHEMBL6044629 0.85 CYP4F2 (0.57) CYP4F2CYP4A11MAOBBCHEMEN1
SCHEMBL17386027 0.84 CYP4F2 (0.59) CYP4F2CYP4A11MAOBBCHEMEN1
SCHEMBL9810853 0.84 PTGES (0.50) PTGESMMEACECPA1ACE2
SCHEMBL6624802 0.84 CYP4F2 (0.59) CYP4F2CYP4A11MAOBBCHEMEN1
SCHEMBL357349 0.84 MAOB (0.57) MAOBBCHE
SCHEMBL360368 0.84 MAOB (0.57) MAOBBCHE
SCHEMBL321092 0.84 MAOB (0.62) CYP4F2CYP4A11MAOBBCHEMEN1

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-0405440-A1 Microbicides CIBA-GEIGY AG (CH) 1991-01-02 EP disclosed