SCHEMBL4726944

SCHEMBL4726944

C/C(=N\OCc1ccccc1F)c1ccc(OCC(=O)O)c(C)c1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.63
PPARA Q07869 9/20 0.63
PPARD Q03181 6/20 0.63
LTB4R Q15722 2/20 0.50
LTB4R2 Q9NPC1 2/20 0.50
S1PR1 P21453 2/20 0.45
MAOB P27338 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
FFAR1 O14842 1/20 0.40

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
SCHEMBL4725594 0.86 PPARD (0.48) PPARGPPARAPPARDLTB4RLTB4R2
SCHEMBL4725589 0.86 PPARD (0.48) PPARGPPARAPPARDLTB4RLTB4R2
SCHEMBL4725597 0.82 PPARD (0.45) PPARGPPARAPPARDLTB4RLTB4R2
SCHEMBL4726805 0.82 PPARG (0.46) PPARGPPARAPPARDS1PR1MAOB
SCHEMBL4726804 0.82 PPARG (0.46) PPARGPPARAPPARDS1PR1MAOB
SCHEMBL4728588 0.78 PPARD (0.73) PPARGPPARAPPARDS1PR1
SCHEMBL4727946 0.78 PPARD (0.73) PPARGPPARAPPARDS1PR1
SCHEMBL4728589 0.77 PPARG (1.00) PPARGPPARAPPARDFFAR1
SCHEMBL4726309 0.77 PPARG (1.00) PPARGPPARAPPARDFFAR1
SCHEMBL18644987 0.77 PPARG (1.00) PPARGPPARAPPARDFFAR1

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
WO-2008035359-A2 OXIMINOPHENOXYALKANOIC ACID AND PHENYLALKANOIC ACID DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2008-03-27 WO claimed
WO-2008035359-A2 OXIMINOPHENOXYALKANOIC ACID AND PHENYLALKANOIC ACID DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2008-03-27 WO disclosed