SCHEMBL5154834

SCHEMBL5154834

O=C(O)CCc1ccc(OCCCCOC2CCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.60
ITGB3 P05106 1/20 0.59
ITGA2B P08514 1/20 0.59
LMNA P02545 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
FFAR4 Q5NUL3 4/20 0.50
CYSLTR2 Q9NS75 1/20 0.49
PPARG P37231 2/20 0.48
PPARD Q03181 1/20 0.48
PPARA Q07869 1/20 0.48
S1PR1 P21453 3/20 0.47
S1PR4 O95977 1/20 0.46
S1PR3 Q99500 1/20 0.46

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
SCHEMBL4508109 0.86 ADRB2 (0.48) FFAR1ITGB3ITGA2BCYSLTR2
SCHEMBL4522084 0.82 HRH3 (0.48) FFAR1LMNACYSLTR2
SCHEMBL4512297 0.80 CYSLTR2 (0.45) CYSLTR2
SCHEMBL3064272 0.79 THRA (0.57) FFAR1FFAR4
SCHEMBL4530820 0.78 FFAR1 (0.88) FFAR1LMNAL3MBTL1FFAR4PPARG
SCHEMBL3059752 0.78 THRA (0.61) FFAR1ITGB3ITGA2BLMNAL3MBTL1
SCHEMBL1586984 0.78 MEN1 (0.62) FFAR1ITGB3ITGA2BLMNAL3MBTL1
SCHEMBL14145205 0.77 CYSLTR2 (0.61) FFAR1ITGB3ITGA2BCYSLTR2
SCHEMBL31660990 0.77 HRH3 (0.44) CYSLTR2
SCHEMBL24723561 0.76 L3MBTL1 (0.82) FFAR1LMNAL3MBTL1PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740540-A1 PHENYL ACETAMIDES Bayer HealthCare AG (DE) 2007-01-10 EP disclosed
WO-2005103001-A1 PHENYL ACETAMIDES BAYER HEALTHCARE AG (DE) 2005-11-03 WO disclosed