SCHEMBL8560924

SCHEMBL8560924

CCCCCC(C)(C#N)CCCCCOc1cc(OCc2ccccc2)ccc1CC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.46
PLA2G2D Q9UNK4 1/20 0.42
TSHR P16473 1/20 0.39
MAOB P27338 1/20 0.39
GGPS1 O95749 1/20 0.39
PTGES O14684 2/20 0.38
ALOX5 P09917 2/20 0.38
PPARG P37231 2/20 0.38
PSEN1 P49768 2/20 0.38
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37

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
SCHEMBL9074308 0.92 NR1H4 (0.46) NR1H4PLA2G2DTSHRMAOBGGPS1
SCHEMBL8995673 0.89 NR1H4 (0.48) NR1H4PLA2G2DMAOBCYSLTR2CYSLTR1
SCHEMBL6755904 0.87 NR1H4 (0.46) NR1H4MAOBALOX5CYSLTR2CYSLTR1
SCHEMBL8566089 0.87 MAOB (0.50) NR1H4PLA2G2DMAOBCYSLTR2CYSLTR1
SCHEMBL8566430 0.84 NR1H4 (0.51) NR1H4
SCHEMBL8568129 0.80 NR1H4 (0.47) NR1H4
SCHEMBL8651806 0.79 NR1H4 (0.54) NR1H4GGPS1
SCHEMBL6762437 0.79 MAOB (0.47) MAOB
SCHEMBL6894310 0.79 NR1H4 (0.44) NR1H4MAOBALOX5CYSLTR2CYSLTR1
SCHEMBL4472796 0.78 ALOX5 (0.49) MAOBALOX5

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