SCHEMBL6491209

SCHEMBL6491209

O=C(Cc1ccc(OCc2ccccc2)cc1)c1nc(C(F)(F)F)cs1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.48
EPHX2 P34913 1/20 0.48
ALOX5 P09917 5/20 0.47
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
FAAH O00519 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
DDR1 Q08345 1/20 0.43
MMP2 P08253 1/20 0.42
MMP13 P45452 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL6489697 0.87 LTA4H (0.44) LTA4HEPHX2ALOX5FFAR1FFAR4
SCHEMBL6489689 0.87 LTA4H (0.44) LTA4HEPHX2ALOX5FFAR1FFAR4
SCHEMBL6176932 0.83 ALOX5 (0.52) ALOX5FFAR1FFAR4NR4A1NR4A2
SCHEMBL27533969 0.78 PPARA (0.47) LTA4HEPHX2ALOX5FFAR1FFAR4
SCHEMBL6177200 0.77 PLA2G4A (0.53) ALOX5FFAR1FFAR4NR4A1NR4A2
SCHEMBL7803608 0.76 MAPT (0.49)
SCHEMBL6492789 0.76 MAPT (0.49)
SCHEMBL6501114 0.76 FFAR1 (0.49) LTA4HEPHX2FFAR1FFAR4PPARG
SCHEMBL6492785 0.76 MAPT (0.49)
SCHEMBL6179039 0.74 NPC1 (0.76) EPHX2ALOX5PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6881736-B1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2005-04-19 US disclosed
US-6881736-B1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2005-04-19 US disclosed
EP-1218005-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-12-15 EP disclosed
EP-1218005-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-09 EP disclosed
EP-1218005-A2 VITRONECTIN RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-07-03 EP disclosed
WO-2001017959-A2 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-03-15 WO disclosed