SCHEMBL27770291

SCHEMBL27770291

O=CC1COc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.54
MAOA P21397 3/20 0.54
FFAR1 O14842 8/20 0.53
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
NFKB1 P19838 1/20 0.52
GRM5 P41594 1/20 0.52
RAB9A P51151 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CA2 P00918 1/20 0.51
CA5A P35218 1/20 0.51
PPARG P37231 2/20 0.49
PPARD Q03181 2/20 0.49
HTR2B P41595 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
SIGMAR1 Q99720 1/20 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
SCHEMBL27845543 0.88 MAOB (0.58) MAOBMAOAFFAR1NPC1ALDH1A1
SCHEMBL28572292 0.83 MAOB (0.50) MAOBMAOAFFAR1NPC1ALDH1A1
SCHEMBL21198816 0.79 MAOB (0.59) MAOBMAOAFFAR1NPC1ALDH1A1
SCHEMBL21198815 0.79 MAOB (0.59) MAOBMAOAFFAR1NPC1ALDH1A1
SCHEMBL8877619 0.78 MAOB (0.55) MAOBMAOAFFAR1NPC1ALDH1A1
SCHEMBL8876136 0.78 MAOB (0.55) MAOBMAOAFFAR1NPC1ALDH1A1
SCHEMBL8875180 0.78 MAOB (0.55) MAOBMAOAFFAR1NPC1ALDH1A1
SCHEMBL27319522 0.77 HTR2B (0.53) MAOBMAOAFFAR1NPC1ALDH1A1
SCHEMBL24239411 0.75 MAOB (0.51) MAOBMAOAFFAR1NPC1ALDH1A1
SCHEMBL29052749 0.75 MAOB (0.51) MAOBMAOAFFAR1NPC1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103271906-A Use of spiro-oxindole compounds as therapeutic agents XENON PHARMACEUTICALS INC 2013-09-04 CN disclosed
CN-101631546-A Use of spiro-indolone compounds as therapeutic agents XENON PHARMACEUTICALS INC 2010-01-20 CN disclosed