SCHEMBL6489689

SCHEMBL6489689

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
EPHX2 P34913 1/20 0.44
ALOX5 P09917 5/20 0.42
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
PPARD Q03181 1/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
MMP2 P08253 2/20 0.39
MMP13 P45452 2/20 0.39
MMP1 P03956 1/20 0.38
MMP9 P14780 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
SCHEMBL6489697 1.00 LTA4H (0.44) LTA4HEPHX2ALOX5PPARGPPARA
SCHEMBL7803604 0.89 MMP13 (0.43) LTA4HEPHX2ALOX5LTB4RLTB4R2
SCHEMBL6491209 0.87 LTA4H (0.48) LTA4HEPHX2ALOX5PPARGPPARA
SCHEMBL6178946 0.84 ALOX5 (0.47) ALOX5FFAR1FFAR4NR4A1NR4A2
SCHEMBL6178942 0.84 ALOX5 (0.47) ALOX5FFAR1FFAR4NR4A1NR4A2
SCHEMBL6176965 0.78 ALOX5 (0.47) ALOX5PPARGPPARAFFAR1FFAR4
SCHEMBL6176969 0.78 ALOX5 (0.47) ALOX5PPARGPPARAFFAR1FFAR4
SCHEMBL6178043 0.76 NPC1 (0.54) EPHX2ALOX5PPARGPPARA
SCHEMBL6178029 0.76 NPC1 (0.54) EPHX2ALOX5PPARGPPARA
SCHEMBL6490658 0.75 ALOX5 (0.49) ALOX5FFAR1FFAR4NR4A1NR4A2

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
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