SCHEMBL8564257

SCHEMBL8564257

CCc1cc(-c2ccc(F)cc2)c(OCc2ccccc2)cc1CCCI

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 11/20 0.44
LTB4R2 Q9NPC1 11/20 0.44
FFAR4 Q5NUL3 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGER1 P34995 3/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
MGLL Q99685 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
FFAR1 O14842 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 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
SCHEMBL8561280 0.87 LTB4R (0.51) LTB4RLTB4R2
SCHEMBL27296155 0.86 L3MBTL1 (0.46) LTB4RLTB4R2FFAR4L3MBTL1PTGER1
SCHEMBL27300408 0.81 LTB4R (0.54) LTB4RLTB4R2FFAR4PTGER1RXRA
SCHEMBL8568669 0.80 CYP11B1 (0.47) FFAR4L3MBTL1PTGER1CYP11B1CYP11B2
SCHEMBL6902570 0.79 LTB4R (0.52) LTB4RLTB4R2
SCHEMBL6757535 0.77 LTB4R (0.50) LTB4RLTB4R2
SCHEMBL6756183 0.75 LTB4R (0.48) LTB4RLTB4R2
SCHEMBL8568443 0.74 LTB4R (0.77) LTB4RLTB4R2FFAR4PTGER1PTGER4
Iodide SCHEMBL8565212 0.74 LTB4R (0.47) LTB4RLTB4R2
SCHEMBL8566998 0.74 LTB4R (0.56) LTB4RLTB4R2

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