SCHEMBL8562831

SCHEMBL8562831

CCOC(=O)CCc1ccccc1OCCCCOc1cc(OCc2ccccc2)c(Br)cc1CC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.46
PTGER4 P35408 2/20 0.46
PTGER3 P43115 2/20 0.46
PTGER2 P43116 2/20 0.46
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
DHFR P00374 1/20 0.42
GPR34 Q9UPC5 3/20 0.42
P2RY10 O00398 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
SCHEMBL8567609 0.84 LTB4R (0.61) LTB4RLTB4R2
SCHEMBL8562654 0.84 PTGER1 (0.45) PTGER1PTGER4PTGER3PTGER2LTB4R
SCHEMBL8568217 0.82 LTB4R (0.64) LTB4RLTB4R2
SCHEMBL6899274 0.79 NR1H4 (0.48)
SCHEMBL8564848 0.78 MAOB (0.51) PTGER1PTGER4PTGER3PTGER2LTB4R
SCHEMBL6897555 0.78 NR1H4 (0.50)
SCHEMBL6035792 0.78 CYP4F2 (0.50) PTGER1PTGER4PTGER3PTGER2CYP4F2
SCHEMBL6807773 0.77 NR1H4 (0.47)
SCHEMBL7901019 0.77 FFAR1 (0.51) PTGER1PTGER4PTGER3PTGER2CYP4F2
SCHEMBL23218790 0.76 CYP4F2 (0.44) CYP4F2CYP4A11GPR34

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