SCHEMBL15935622

SCHEMBL15935622

CCc1cc(OCc2ccccc2)ccc1B(O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.51
MAOB P27338 5/20 0.51
ALOX5 P09917 2/20 0.50
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTGS2 P35354 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HIF1A Q16665 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
NR4A2 P43354 2/20 0.48
NCOR2 Q9Y618 2/20 0.48
NSD2 O96028 1/20 0.48
ABL1 P00519 1/20 0.48
PPARG P37231 1/20 0.48
RIN1 Q13671 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NR4A1 P22736 1/20 0.47

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
SCHEMBL12419800 0.88 LIPE (0.51) LIPEMAOBALOX5LMNACYP1A2
SCHEMBL12419847 0.83 ACHE (0.52) LIPEMAOBALOX5PTGS1PTGS2
SCHEMBL12419858 0.83 BCHE (0.59) MAOB
SCHEMBL8070497 0.81 MAOB (0.61) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL539890 0.81 LIPE (0.54) LIPEMAOBALOX5LMNACYP1A2
SCHEMBL29950569 0.81 LIPE (0.54) LIPEMAOBALOX5LMNACYP1A2
SCHEMBL5433420 0.81 LIPE (0.68) LIPEMAOBALOX5LMNACYP1A2
SCHEMBL29953350 0.81 LIPE (0.68) LIPEMAOBALOX5LMNACYP1A2
SCHEMBL1128651 0.81 MAOB (0.54) LIPEMAOBALOX5LMNACYP1A2
SCHEMBL31173073 0.81 MAOB (0.54) LIPEMAOBALOX5LMNACYP1A2

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
WO-2014119770-A1 PYRIDAZINONE COMPOUND AND HERBICIDE COMPRISING SAME 住友化学株式会社 (JP) 2014-08-07 WO disclosed