SCHEMBL4729104

SCHEMBL4729104

O=C(O)COc1ccc(CCC=NOCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.52
PPARA Q07869 7/20 0.52
MAOB P27338 3/20 0.45
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 2/20 0.44
PPARG P37231 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4729527 0.91 PPARD (0.49) PPARDPPARAMAOBFFAR1FFAR4
SCHEMBL16914905 0.88 PPARD (0.54) PPARDPPARAMAOBFFAR1PPARG
SCHEMBL12477083 0.85 PTPN1 (0.40) PPARDPPARAPPARGSMN1; SMN2
SCHEMBL4727921 0.85 FFAR1 (0.53) PPARDPPARAFFAR1FFAR4PPARG
SCHEMBL15543422 0.84 LMNA (0.49)
SCHEMBL12477097 0.83 FFAR1 (0.49) PPARDPPARAMAOBFFAR1FFAR4
SCHEMBL4727711 0.83 PPARD (0.67) PPARDPPARAFFAR1PPARG
SCHEMBL15542947 0.83 KMT2A (0.46) SMN1; SMN2
SCHEMBL15543166 0.82 FKBP1A (0.51) SMN1; SMN2
SCHEMBL15543282 0.81 MDH1 (0.45) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008035359-A2 OXIMINOPHENOXYALKANOIC ACID AND PHENYLALKANOIC ACID DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2008-03-27 WO claimed
EP-2658851-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DYSLIPIDEMIA Cadila Healthcare Limited (IN) 2013-11-06 EP disclosed
WO-2012090220-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DYSLIPIDEMIA CADILA HEALTHCARE LIMITED (IN) 2012-07-05 WO disclosed
WO-2008035359-A2 OXIMINOPHENOXYALKANOIC ACID AND PHENYLALKANOIC ACID DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2008-03-27 WO disclosed