SCHEMBL4728606

SCHEMBL4728606

CCC(Oc1ccc(/C(C)=N\OCc2nc3ccccc3c(=O)n2C)cc1C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 6/20 0.44
UBA2 Q9UBT2 6/20 0.44
UBE2I P63279 4/20 0.44
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GALR3 O60755 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PPARG P37231 4/20 0.41
PPARA Q07869 4/20 0.41
PPARD Q03181 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
ACKR3 P25106 2/20 0.38

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
SCHEMBL4845938 1.00 SAE1 (0.44) SAE1UBA2UBE2IKDM4ETDP1
SCHEMBL4728611 0.82 HDAC6 (0.40) KDM4ETDP1MAPTL3MBTL1PPARG
SCHEMBL4725567 0.81 KDM4E (0.47) SAE1UBA2UBE2IKDM4ETDP1
SCHEMBL4726775 0.78 PLA2G2A (0.43) KDM4EMAPTPPARGPPARAPPARD
SCHEMBL4726804 0.77 PPARG (0.46) PPARGPPARAPPARDSMN1; SMN2
SCHEMBL4726805 0.77 PPARG (0.46) PPARGPPARAPPARDSMN1; SMN2
SCHEMBL4728564 0.75 PPARG (0.72) PPARGPPARAPPARD
SCHEMBL4728569 0.75 PPARG (0.72) PPARGPPARAPPARD
SCHEMBL4729074 0.74 HTT (0.40) MAPK1PPARGPPARAPPARDTSHR
SCHEMBL4729069 0.74 HTT (0.40) MAPK1PPARGPPARAPPARDTSHR

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