SCHEMBL9119332

SCHEMBL9119332

CCOC(=O)c1cc2cc(OCCCCCBr)ccc2o1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.47
MAOA P21397 1/20 0.46
SLC2A1 P11166 1/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL18611964 0.89 MAOB (0.52) MAOBMAOASLC2A1LMNAALDH1A1
SCHEMBL18591911 0.87 MAOB (0.52) MAOBMAOASLC2A1LMNAALDH1A1
SCHEMBL6986259 0.82 HSD17B10 (0.53) MAOBSLC2A1LMNAALDH1A1MAPK1
SCHEMBL7467756 0.82 RARB (0.49) MAOBMAOALMNAALDH1A1KDM4E
SCHEMBL8118515 0.80 MAOB (0.55) MAOBMAOAALDH1A1KDM4EHSD17B10
SCHEMBL648621 0.80 MAOB (0.70) MAOBALDH1A1KDM4E
SCHEMBL13740830 0.79 CA12 (0.57) MAOBMAOASLC2A1LMNAALDH1A1
SCHEMBL6867907 0.79 MAOB (0.54) MAOBMAOAALDH1A1MAPK1KDM4E
SCHEMBL10507360 0.79 CA12 (0.54) MAOBSLC2A1LMNAALDH1A1MAPK1
SCHEMBL3618447 0.79 MAOB (0.62) MAOBALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5434186-A Antiinflammatory agents HOFFMANN-LA ROCHE INC. (US) 1995-07-18 US disclosed
US-5273999-A A 4-keto-boroalkyleneoxychroman or 2,3-dihydrobenzofuran derivative HOFFMANN-LA ROCHE INC. (US) 1993-12-28 US disclosed
EP-0531823-A1 Bicyclic carboxylic acid derivatives as anti-inflammatory agents F. HOFFMANN-LA ROCHE AG (CH) 1993-03-17 EP disclosed