SCHEMBL8563668

SCHEMBL8563668

CCc1cc(-c2cccc(OC)c2)c(OCc2ccccc2)cc1OCCCCCC(C)(C)C#N

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 11/20 0.49
LTB4R2 Q9NPC1 10/20 0.49
NR1H4 Q96RI1 2/20 0.47
DHODH Q02127 2/20 0.42
C5AR1 P21730 1/20 0.41
ABCB1 P08183 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
MAOB P27338 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL8563541 0.91 NR1H4 (0.48) LTB4RLTB4R2NR1H4C5AR1ABCB1
SCHEMBL8568257 0.91 NR1H4 (0.52) LTB4RLTB4R2NR1H4
SCHEMBL6757622 0.90 NR1H4 (0.51) LTB4RLTB4R2NR1H4
SCHEMBL8563594 0.89 LTB4R (0.48) LTB4RLTB4R2NR1H4
SCHEMBL8568097 0.89 LTB4R (0.49) LTB4RLTB4R2NR1H4C5AR1
SCHEMBL8563809 0.87 NR1H4 (0.46) LTB4RLTB4R2NR1H4
SCHEMBL8562583 0.87 LTB4R (0.50) LTB4RLTB4R2NR1H4DHODH
SCHEMBL8563732 0.85 NR1H4 (0.49) LTB4RLTB4R2NR1H4
SCHEMBL8560557 0.85 LTB4R (0.65) LTB4RLTB4R2CNR1CNR2
SCHEMBL8563657 0.85 NR1H4 (0.49) LTB4RLTB4R2NR1H4C5AR1CNR1

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