SCHEMBL4599510

SCHEMBL4599510

Nc1[c]ccc(OCc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.57
MAOA P21397 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALOX5 P09917 1/20 0.51
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
BCHE P06276 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL2093026 0.81 ALOX5 (0.53) MAOBMAOAL3MBTL1GAAMAPT
SCHEMBL27618450 0.80 MAOB (0.51) MAOBMAOAL3MBTL1GAAMAPT
SCHEMBL4073708 0.79 ALOX5 (0.51) MAOBMAOAL3MBTL1GAAMAPT
SCHEMBL920621 0.79 ALOX5 (0.51) MAOBMAOAL3MBTL1GAAMAPT
SCHEMBL3298362 0.79 CYP1A2 (0.55) MAOBMAOAL3MBTL1GAAMAPT
SCHEMBL15474876 0.79 MAOB (0.57) MAOBMAOAL3MBTL1GAAMAPT
SCHEMBL539028 0.79 MAOB (0.53) MAOBMAOAL3MBTL1GAAMAPT
SCHEMBL15474587 0.78 ALOX5 (0.50) MAOBMAOAL3MBTL1GAAMAPT
SCHEMBL3456084 0.78 BCHE (0.53) MAOBMAOAL3MBTL1GAAMAPT
SCHEMBL3948493 0.77 MAOB (0.58) MAOBMAOAALOX5CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP claimed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO claimed
CN-117586265-A Nitrogen-containing heterocyclic compound, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2024-02-23 CN disclosed
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP disclosed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO disclosed
CN-1835934-A oxazole derivatives as cyclooxygenase inhibitors ASTELLAS PHARMA INC (JP) 2006-09-20 CN disclosed
US-6057336-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 US disclosed