SCHEMBL4728545

SCHEMBL4728545

CCC(Oc1ccc(C(=NO)c2ccccc2)cc1C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.52
PPARG P37231 10/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GFER P55789 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PPARD Q03181 1/20 0.37

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
SCHEMBL4728544 1.00 PPARA (0.52) PPARAPPARGSMN1; SMN2HPGDPOLB
SCHEMBL4728216 0.83 PPARA (0.50) PPARAPPARGSMN1; SMN2MAPTPTGDR2
SCHEMBL4729729 0.82 PPARA (0.50) PPARAPPARGSMN1; SMN2PTGDR2TAS1R3
SCHEMBL4729733 0.81 PPARA (0.48) PPARAPPARGSMN1; SMN2PTGDR2KDM4E
SCHEMBL5861893 0.80 PPARA (0.57) PPARAPPARGSMN1; SMN2PTGDR2TAS1R3
SCHEMBL4728547 0.76 PPARA (0.54) PPARAPPARGSMN1; SMN2PTGDR2TAS1R3
SCHEMBL4728546 0.76 PPARA (0.54) PPARAPPARGSMN1; SMN2PTGDR2TAS1R3
SCHEMBL8935696 0.76 PPARA (0.61) PPARAPPARGSMN1; SMN2HPGDPTGDR2
SCHEMBL8935691 0.76 PPARA (0.61) PPARAPPARGSMN1; SMN2HPGDPTGDR2
SCHEMBL3879629 0.75 SMN1; SMN2 (0.57) PPARAPPARGSMN1; SMN2ALDH1A1KDM4E

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