SCHEMBL6543048

SCHEMBL6543048

CC(C)(Oc1cccc(CNCCC(c2ccc(Cl)cc2)c2nc3ccccc3o2)c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.48
PPARA Q07869 8/20 0.48
PPARD Q03181 4/20 0.48
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
CNR1 P21554 3/20 0.38
CNR2 P34972 2/20 0.38
LMNA P02545 1/20 0.38
P2RY14 Q15391 1/20 0.36
PTPN1 P18031 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6543121 0.94 PPARG (0.51) PPARGPPARAPPARDALDH1A1P2RY14
SCHEMBL1012086 0.89 PPARA (0.47) PPARGPPARAPPARDPOLBMAPT
SCHEMBL6542914 0.88 PPARG (0.47) PPARGPPARAPPARDMAPTCNR1
SCHEMBL6542900 0.87 PPARG (0.51) PPARGPPARAPPARDPOLBMAPT
SCHEMBL2439070 0.87 PPARG (0.47) PPARGPPARAPPARDMAPTALDH1A1
SCHEMBL6543944 0.87 PPARG (0.54) PPARGPPARAPPARDMAPTKDM4E
SCHEMBL6543517 0.86 PPARA (0.46) PPARAPPARDPOLBALDH1A1KDM4E
SCHEMBL2437822 0.85 PPARA (0.49) PPARGPPARAPPARD
SCHEMBL6544050 0.85 PPARG (0.56) PPARGPPARAPPARDMAPTKDM4E
SCHEMBL1009457 0.85 PPARA (0.51) PPARGPPARAPPARDALDH1A1P2RY14

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
EP-1433786-A1 Benzoxazole compound and pharmaceutical composition containing the compound Kowa Company Ltd. (JP) 2004-06-30 EP disclosed
US-6653334-B1 Electively activate peroxisome proliferator activated receptors KOWA CO., LTD. (JP) 2003-11-25 US disclosed