SCHEMBL30858768

SCHEMBL30858768

Cc1cc(O)cc(Oc2cc(C)cc(OCc3ccccc3Cl)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.48
MAOA P21397 1/20 0.48
NR4A2 P43354 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PIK3CD O00329 1/20 0.43
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC26A4 O43511 1/20 0.43
F2 P00734 2/20 0.42
F10 P00742 2/20 0.42
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
HTT P42858 1/20 0.40
RAD52 P43351 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL29261483 1.00 MAOB (0.48) MAOBMAOANR4A2NPC1RAB9A
SCHEMBL6553403 0.94 MAOB (0.52) MAOBMAOANR4A2NPC1RAB9A
SCHEMBL29261480 0.83 PARP10 (0.45) MAOBNPC1RAB9AMAPTF2
SCHEMBL30858765 0.83 PARP10 (0.45) MAOBNPC1RAB9AMAPTF2
SCHEMBL13678515 0.79 MAOB (0.53) MAOBPIK3CDKMT2ASLC26A4FFAR1
SCHEMBL13678502 0.77 MAOB (0.53) MAOBMAOANR4A2NPC1RAB9A
SCHEMBL29261482 0.77 GRM5 (0.61) MAOBMAOANR4A2
SCHEMBL30858770 0.77 GRM5 (0.61) MAOBMAOANR4A2
SCHEMBL257758 0.76 NR4A2 (0.60) MAOBMAOANR4A2NPC1RAB9A
SCHEMBL15604744 0.76 NR4A2 (0.53) MAOBMAOANR4A2NPC1RAB9A

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
CN-117945867-A Antibacterial active benzyl phenyl ether derivative and preparation method thereof 海南师范大学 2024-04-30 CN disclosed