SCHEMBL6542900

SCHEMBL6542900

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.51
PPARA Q07869 8/20 0.51
PPARD Q03181 5/20 0.51
ADRB3 P13945 6/20 0.44
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
ADRB1 P08588 1/20 0.40
PTPN1 P18031 1/20 0.40
FABP2 P12104 1/20 0.39
CNR1 P21554 2/20 0.38
CNR2 P34972 1/20 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
SCHEMBL1009638 0.89 PPARG (0.50) PPARGPPARAPPARDADRB3ALDH1A1
SCHEMBL6543048 0.87 PPARG (0.48) PPARGPPARAPPARDALDH1A1KDM4E
SCHEMBL6543944 0.87 PPARG (0.54) PPARGPPARAPPARDADRB3KDM4E
SCHEMBL6543024 0.86 PPARA (0.49) PPARGPPARAPPARDADRB3ALDH1A1
SCHEMBL1009685 0.85 PPARG (0.54) PPARGPPARAPPARDADRB3KDM4E
SCHEMBL6544050 0.82 PPARG (0.56) PPARGPPARAPPARDADRB3KDM4E
SCHEMBL6543121 0.81 PPARG (0.51) PPARGPPARAPPARDADRB3ALDH1A1
SCHEMBL1009987 0.81 PPARA (0.48) PPARGPPARAPPARDALDH1A1KDM4E
SCHEMBL1010612 0.80 PPARA (0.56) PPARGPPARAPPARDADRB3
SCHEMBL1010866 0.80 ADRB3 (0.52) PPARGPPARAPPARDADRB3ALDH1A1

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