SCHEMBL8563285

SCHEMBL8563285

CCOC(=O)CCc1c(O)cccc1OCCCCC#N

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.47
CNR2 P34972 7/20 0.47
LTB4R Q15722 2/20 0.39
LTB4R2 Q9NPC1 2/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 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
SCHEMBL8566189 0.88 CNR1 (0.56) CNR1CNR2LTB4RLTB4R2CYP4F2
SCHEMBL27545958 0.86 CNR1 (0.62) CNR1CNR2LTB4RLTB4R2
SCHEMBL27545957 0.86 CNR1 (0.56) CNR1CNR2LTB4RLTB4R2CYP4F2
SCHEMBL8569884 0.84 CNR2 (0.54) CNR1CNR2LTB4RLTB4R2CYP4F2
SCHEMBL8567849 0.83 CNR1 (0.51) CNR1CNR2LTB4RLTB4R2CYP4F2
SCHEMBL27507369 0.82 CNR1 (0.47) CNR1CNR2LTB4RLTB4R2CYP4F2
SCHEMBL6035844 0.78 ALDH1A1 (0.47) CNR1CNR2CYP4F2CYP4A11ALDH1A1
SCHEMBL27520483 0.77 CA12 (0.55) CYP4F2CYP4A11ALDH1A1GAAKDM4E
SCHEMBL27573118 0.75 CNR1 (0.64) CNR1CNR2LTB4RLTB4R2
SCHEMBL12610480 0.74 CNR1 (0.47) CNR1CNR2CYP4F2CYP4A11

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