SCHEMBL8565673

SCHEMBL8565673

CCOC(=O)COc1ccc(C(C#N)CCCCCOc2cc(OCc3ccccc3)ccc2C(C)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.43
HPGD P15428 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
FFAR1 O14842 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
CCR1 P32246 1/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8561236 0.91 FFAR1 (0.40) HPGDLMNAMAPTL3MBTL1NR1H4
SCHEMBL8562415 0.89 MAOB (0.52) MAOB
SCHEMBL8567342 0.83 NR1H4 (0.39) HPGDLMNAMAPTL3MBTL1NR1H4
SCHEMBL10547115 0.80 MAOB (0.62) MAOBHPGDLMNAMAPTL3MBTL1
SCHEMBL8565242 0.80 LTB4R (0.39) HPGDMAPTNR1H4FFAR1
SCHEMBL8564071 0.78 SGMS2 (0.41) MAOBCYSLTR2CYSLTR1NR1H4FFAR1
SCHEMBL8561446 0.76 GAA (0.46) HPGDLMNAMAPTL3MBTL1PPARG
SCHEMBL8567408 0.75 GAA (0.45) HPGDMAPTL3MBTL1PPARGPPARA
SCHEMBL6760986 0.75 MAOB (0.61) MAOB
SCHEMBL8564848 0.73 MAOB (0.51) MAOBCYSLTR2CYSLTR1LMNAMAPT

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