SCHEMBL4726348

SCHEMBL4726348

CCC(Oc1ccc(C(Cc2ccsc2)=NOCc2ccc(C(F)(F)F)cc2)cc1C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.45
PPARD Q03181 11/20 0.45
PPARG P37231 9/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.41
S1PR1 P21453 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34

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
SCHEMBL4726350 0.91 PPARA (0.45) PPARAPPARDPPARGPTGDR2S1PR1
SCHEMBL4727840 0.89 PPARA (0.49) PPARAPPARDPPARGPTGDR2S1PR1
SCHEMBL4728550 0.89 PPARA (0.49) PPARAPPARDPPARGPTGDR2S1PR1
SCHEMBL4730612 0.88 PPARA (0.45) PPARAPPARDPPARGPTGDR2S1PR1
SCHEMBL4728640 0.88 PPARA (0.45) PPARAPPARDPPARGPTGDR2S1PR1
SCHEMBL4726363 0.86 PPARA (0.47) PPARAPPARDPPARGPTGDR2S1PR1
SCHEMBL4727843 0.86 PPARA (0.51) PPARAPPARDPPARGPTGDR2MRGPRX4
SCHEMBL4728644 0.85 PPARA (0.45) PPARAPPARDPPARGPTGDR2S1PR1
SCHEMBL4784245 0.85 PPARD (0.59) PPARAPPARDPPARG
SCHEMBL4730652 0.85 PPARD (0.59) PPARAPPARDPPARG

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