SCHEMBL8563541

SCHEMBL8563541

CCc1cc(-c2ccc(OC)cc2)c(OCc2ccccc2)cc1OCCCCCC(C)(C)C#N

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.48
LTB4R Q15722 8/20 0.47
LTB4R2 Q9NPC1 7/20 0.47
C5AR1 P21730 1/20 0.40
CNR1 P21554 1/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NOD2 Q9HC29 1/20 0.38
ABCB1 P08183 1/20 0.38
SYK P43405 2/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL8568257 0.93 NR1H4 (0.52) NR1H4LTB4RLTB4R2
SCHEMBL6757622 0.92 NR1H4 (0.51) NR1H4LTB4RLTB4R2
SCHEMBL8563668 0.91 LTB4R (0.49) NR1H4LTB4RLTB4R2C5AR1CNR1
SCHEMBL8563732 0.91 NR1H4 (0.49) NR1H4LTB4RLTB4R2
SCHEMBL6758945 0.90 NR1H4 (0.49) NR1H4LTB4RLTB4R2
SCHEMBL8563657 0.90 NR1H4 (0.49) NR1H4LTB4RLTB4R2C5AR1CNR1
SCHEMBL6759116 0.89 NR1H4 (0.47) NR1H4LTB4RLTB4R2
SCHEMBL8564513 0.86 NR1H4 (0.49) NR1H4LTB4RLTB4R2
SCHEMBL8653472 0.86 NR1H4 (0.53) NR1H4LTB4RLTB4R2HPGD
SCHEMBL8563594 0.85 LTB4R (0.48) NR1H4LTB4RLTB4R2

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