SCHEMBL8566089

SCHEMBL8566089

CCCCCC(C)(C#N)CCCCCOc1cc(OCc2ccccc2)ccc1C(C)=O

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.50
NR1H4 Q96RI1 2/20 0.48
PLA2G2D Q9UNK4 1/20 0.44
CYSLTR2 Q9NS75 1/20 0.44
CYSLTR1 Q9Y271 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
SCHEMBL8568441 0.88 MAOB (0.54) MAOBNR1H4
SCHEMBL8560924 0.87 NR1H4 (0.46) MAOBNR1H4PLA2G2DCYSLTR2CYSLTR1
SCHEMBL26455227 0.83 MAOB (0.60) MAOBCYSLTR2CYSLTR1
SCHEMBL9074308 0.80 NR1H4 (0.46) MAOBNR1H4PLA2G2D
SCHEMBL26455225 0.80 MAOB (0.64) MAOB
SCHEMBL6760986 0.79 MAOB (0.61) MAOB
SCHEMBL6899074 0.78 MAOB (0.65) MAOB
SCHEMBL6756014 0.77 NR4A2 (0.47) MAOB
SCHEMBL9324047 0.77 PTPN11 (0.58) MAOB
SCHEMBL8562415 0.77 MAOB (0.52) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0544488-B1 Substituted phenyl phenol leukotriene antagonists LILLY CO ELI (US) 1998-03-11 EP disclosed
WO-1996036347-A1 USE OF LEUKOTRIENE ANTAGONISTS FOR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1996-11-21 WO disclosed
EP-0743064-A1 Leukotriene antagonists for use in the treatment or prevention of alzheimer's disease ELI LILLY AND COMPANY (US) 1996-11-20 EP disclosed
US-5462954-A Antiinflammatory, antiallergens; treating asthma ELI LILLY AND COMPANY (US) 1995-10-31 US disclosed
EP-0544488-A2 Substituted phenyl phenol leukotriene antagonists ELI LILLY AND COMPANY (US) 1993-06-02 EP disclosed