SCHEMBL8568669

SCHEMBL8568669

Fc1ccc(-c2cc(-c3ccc(F)cc3)c(OCc3ccccc3)cc2OCCCI)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.47
CYP11B2 P19099 3/20 0.47
PTGER1 P34995 2/20 0.42
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
GSTP1 P09211 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
FFAR4 Q5NUL3 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 2/20 0.39
IKBKB O14920 1/20 0.39
MCL1 Q07820 1/20 0.39
LMNA P02545 1/20 0.39
HTR1A P08908 1/20 0.39

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 0.90 LTB4R (0.51)
SCHEMBL8564257 0.80 LTB4R (0.44) CYP11B1CYP11B2PTGER1RXRARXRB
SCHEMBL9223560 0.79 MAPT (0.41) CYP11B1CYP11B2PTGER1MAPK13MAPK12
SCHEMBL6902570 0.78 LTB4R (0.52)
SCHEMBL6757535 0.77 LTB4R (0.50)
SCHEMBL8564113 0.76 LTB4R (0.56) PTGER1FFAR4
SCHEMBL6756183 0.75 LTB4R (0.48)
SCHEMBL5690733 0.74 PTGER1 (0.53) PTGER1
Iodide SCHEMBL8565212 0.73 LTB4R (0.47)
SCHEMBL27300408 0.73 LTB4R (0.54) PTGER1RXRARXRBRXRGFFAR4

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