SCHEMBL8560737

SCHEMBL8560737

CCc1cc(Br)c(OCc2ccccc2)cc1OCCCCCC(C)(C)C#N

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.53
PTPN1 P18031 2/20 0.39
LTB4R Q15722 3/20 0.38
SGMS2 Q8NHU3 1/20 0.37
LTB4R2 Q9NPC1 2/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
LMNA P02545 1/20 0.35
ABCB1 P08183 1/20 0.35
CCR5 P51681 1/20 0.35

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
SCHEMBL6759095 0.99 NR1H4 (0.52) NR1H4PTPN1LTB4RSGMS2LTB4R2
SCHEMBL8566430 0.89 NR1H4 (0.51) NR1H4PTPN1LTB4RSGMS2LTB4R2
SCHEMBL8651806 0.88 NR1H4 (0.54) NR1H4LTB4RSGMS2LTB4R2
SCHEMBL8650341 0.88 NR1H4 (0.54) NR1H4LTB4RSGMS2LTB4R2LMNA
SCHEMBL8651831 0.88 NR1H4 (0.53) NR1H4LTB4RLTB4R2
SCHEMBL8653472 0.88 NR1H4 (0.53) NR1H4LTB4RLTB4R2
SCHEMBL8650467 0.87 NR1H4 (0.52) NR1H4LTB4RSGMS2LTB4R2
SCHEMBL8568257 0.87 NR1H4 (0.52) NR1H4LTB4RLTB4R2
SCHEMBL8654007 0.86 NR1H4 (0.52) NR1H4LTB4RSGMS2LTB4R2
SCHEMBL6757622 0.85 NR1H4 (0.51) NR1H4LTB4RSGMS2LTB4R2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579412-B1 1,2,4-trioxygenated benzene derivatives useful as a leukotriene antagonists LILLY CO ELI (US) 1998-10-07 EP disclosed
EP-0735870-A4 USE OF PLA 2? INHIBITORS AS TREATMENT FOR ALZHEIMER'S DISEASE LILLY CO ELI (US) 1998-08-19 EP disclosed
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
EP-0735870-A1 USE OF PLA 2? INHIBITORS AS TREATMENT FOR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1996-10-09 EP disclosed
US-5563164-A TREATING ARTHRITIS, PSORIASIS, ASTHMA, INFLAMMATORY BOWEL DISEASE, OR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1996-10-08 US disclosed
US-5478857-A Administering inhibitor of phospholipase A2 ELI LILLY AND COMPANY (US) 1995-12-26 US disclosed
US-5462954-A Antiinflammatory, antiallergens; treating asthma ELI LILLY AND COMPANY (US) 1995-10-31 US disclosed
WO-1995017183-A1 USE OF PLA2 INHIBITORS AS TREATMENT FOR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1995-06-29 WO disclosed
US-5352690-A For asthma, allergies ELI LILLY AND COMPANY (US) 1994-10-04 US disclosed
EP-0579412-A1 1,2,4-trioxygenated benzene derivatives useful as a leukotriene antagonists ELI LILLY AND COMPANY (US) 1994-01-19 EP disclosed
EP-0544488-A2 Substituted phenyl phenol leukotriene antagonists ELI LILLY AND COMPANY (US) 1993-06-02 EP disclosed