SCHEMBL4725571

SCHEMBL4725571

CCC(Oc1ccc(CCC=NOCc2nc3ccccc3c(=O)n2C)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HDAC6 Q9UBN7 2/20 0.44
PPARG P37231 8/20 0.43
PPARA Q07869 6/20 0.41
HDAC8 Q9BY41 1/20 0.41
ACKR3 P25106 5/20 0.41
GFER P55789 1/20 0.37
RXFP1 Q9HBX9 2/20 0.37
PDE10A Q9Y233 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 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
SCHEMBL4728611 0.81 HDAC6 (0.40) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL4725567 0.80 KDM4E (0.47) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL15543190 0.78 FKBP1A (0.45) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL4730221 0.76 PPARG (0.47) PPARGPPARA
SCHEMBL6555833 0.76 KDM4E (0.62) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL4728540 0.74 PPARG (0.56) PPARGPPARA
SCHEMBL4726779 0.73 PPARG (0.48) PPARGPPARA
SCHEMBL4728887 0.72 PPARG (0.46) PPARGPPARA
SCHEMBL4727918 0.72 PPARG (0.46) PPARGPPARA
SCHEMBL6555825 0.72 PPARA (0.61) KDM4EALOX15TSHRTDP1L3MBTL1

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