SCHEMBL8566189

SCHEMBL8566189

CCOC(=O)CCCCOc1cccc(O)c1CCC(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.56
CNR2 P34972 7/20 0.56
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
LTB4R Q15722 2/20 0.46
LTB4R2 Q9NPC1 2/20 0.46
DHFR P00374 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL8569884 0.95 CNR2 (0.54) CNR1CNR2CYP4F2CYP4A11LTB4R
SCHEMBL27545958 0.92 CNR1 (0.62) CNR1CNR2LTB4RLTB4R2CYP3A4
SCHEMBL27545957 0.92 CNR1 (0.56) CNR1CNR2CYP4F2CYP4A11LTB4R
SCHEMBL8567849 0.92 CNR1 (0.51) CNR1CNR2CYP4F2CYP4A11LTB4R
SCHEMBL27507369 0.88 CNR1 (0.47) CNR1CNR2CYP4F2CYP4A11LTB4R
SCHEMBL8563285 0.88 CNR1 (0.47) CNR1CNR2CYP4F2CYP4A11LTB4R
SCHEMBL12610480 0.85 CNR1 (0.47) CNR1CNR2CYP4F2CYP4A11CA12
SCHEMBL6035844 0.83 ALDH1A1 (0.47) CNR1CNR2CYP4F2CYP4A11CA12
SCHEMBL27520483 0.83 CA12 (0.55) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL9119385 0.82 CNR2 (0.48) CNR1CNR2CYP4F2CYP4A11LTB4R

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 11 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
EP-0656896-B1 NEW LEUKOTRIENE-B4 ANTAGONISTS, PROCESS FOR PREPARING THE SAME AND THEIR USE AS MEDICAMENTS SCHERING AG (DE) 1997-12-17 EP disclosed
CN-1035001-C Substituted phenyl phenol leukotriene antagonists LILLY CO ELI (US) 1997-05-28 CN 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-5559134-A Leukotriene-B4 antagonists, process for their production and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1996-09-24 US disclosed
US-5462954-A Antiinflammatory, antiallergens; treating asthma ELI LILLY AND COMPANY (US) 1995-10-31 US disclosed
EP-0656896-A1 NEW LEUKOTRIENE-B4 ANTAGONISTS, PROCESS FOR PREPARING THE SAME AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1995-06-14 EP disclosed
CN-1088906-A The phenyl phenol leukotriene antagonists that replaces LILLY CO ELI (US) 1994-07-06 CN disclosed
WO-1994004522-A1 NEW LEUKOTRIENE-B4 ANTAGONISTS, PROCESS FOR PREPARING THE SAME AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1994-03-03 WO disclosed
EP-0544488-A2 Substituted phenyl phenol leukotriene antagonists ELI LILLY AND COMPANY (US) 1993-06-02 EP disclosed