SCHEMBL6543074

SCHEMBL6543074

CC(C)(Oc1ccccc1CCCNCCC(c1ccccc1)c1nc2ccccc2o1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.39
PPARA Q07869 6/20 0.39
PPARD Q03181 3/20 0.39
MTNR1A P48039 8/20 0.36
MTNR1B P49286 8/20 0.36
ADRB3 P13945 4/20 0.36
KCNH2 Q12809 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL6543501 0.95 ADRB3 (0.39) PPARGPPARAPPARDADRB3KCNH2
SCHEMBL6543921 0.84 MTNR1A (0.43) PPARGPPARAPPARDMTNR1AMTNR1B
SCHEMBL6544050 0.84 PPARG (0.56) PPARGPPARAPPARDADRB3KCNH2
SCHEMBL1010640 0.83 PPARG (0.40) PPARGPPARAPPARDMTNR1AMTNR1B
SCHEMBL6544135 0.82 ADRB3 (0.56) PPARGPPARAPPARDADRB3KDM4E
SCHEMBL6543415 0.82 PPARG (0.42) PPARGPPARAPPARDMTNR1AMTNR1B
SCHEMBL6543944 0.80 PPARG (0.54) PPARGPPARAPPARDADRB3KCNH2
SCHEMBL2441903 0.80 PPARG (0.43) PPARGPPARAPPARDMTNR1AMTNR1B
SCHEMBL1010703 0.80 PPARG (0.39) PPARGPPARAPPARDADRB3KDM4E
SCHEMBL6543126 0.79 PPARA (0.50) PPARGPPARAPPARDADRB3KDM4E

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