SCHEMBL4726360

SCHEMBL4726360

CCC(=NOCc1nc(C(C)(C)C)oc1C)c1ccc(OCC(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.46
PPARA Q07869 8/20 0.46
PPARD Q03181 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.40
CYP19A1 P11511 1/20 0.38
ESR1 P03372 1/20 0.38
PTPN1 P18031 1/20 0.37
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL4726354 1.00 PPARG (0.46) PPARGPPARAPPARDSMN1; SMN2CYP19A1
SCHEMBL4729792 0.84 SMN1; SMN2 (0.43) PPARGPPARAPPARDSMN1; SMN2MAPT
SCHEMBL4728537 0.84 SMN1; SMN2 (0.43) PPARGPPARAPPARDSMN1; SMN2MAPT
SCHEMBL4784313 0.83 PPARG (0.66) PPARGPPARAPPARDMAPT
SCHEMBL4784306 0.83 PPARG (0.66) PPARGPPARAPPARDMAPT
SCHEMBL4730360 0.83 PPARG (0.66) PPARGPPARAPPARDMAPT
SCHEMBL4728889 0.83 PPARG (0.66) PPARGPPARAPPARDMAPT
SCHEMBL4729096 0.79 PPARD (0.73) PPARGPPARAPPARDNR1H4
SCHEMBL4729706 0.77 PPARG (0.45) PPARGPPARAPPARDSMN1; SMN2PTPN1
SCHEMBL4727917 0.72 PLA2G4B (0.53) PPARGPPARAPPARDSMN1; SMN2CYP19A1

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 1 patent. 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 disclosed