SCHEMBL6543501

SCHEMBL6543501

CC(C)(Oc1ccccc1CCNCCC(c1ccccc1)c1nc2ccccc2o1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 5/20 0.39
PPARG P37231 6/20 0.38
PPARA Q07869 6/20 0.38
PPARD Q03181 3/20 0.38
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MGLL Q99685 1/20 0.34
MAPT P10636 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
ABCB1 P08183 2/20 0.33
P2RY14 Q15391 1/20 0.33

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
SCHEMBL6543074 0.95 PPARG (0.39) ADRB3PPARGPPARAPPARDADRB2
SCHEMBL6544135 0.85 ADRB3 (0.56) ADRB3PPARGPPARAPPARDKDM4E
SCHEMBL6543944 0.83 PPARG (0.54) ADRB3PPARGPPARAPPARDKDM4E
SCHEMBL1012141 0.82 PPARA (0.40) ADRB3PPARGPPARAPPARDKDM4E
SCHEMBL6543415 0.81 PPARG (0.42) PPARGPPARAPPARDKDM4EALDH1A1
SCHEMBL6543126 0.81 PPARA (0.50) ADRB3PPARGPPARAPPARDKDM4E
SCHEMBL6544050 0.80 PPARG (0.56) ADRB3PPARGPPARAPPARDKDM4E
SCHEMBL1012350 0.79 MAPT (0.39) ADRB3PPARGPPARAPPARDKDM4E
SCHEMBL1010511 0.79 HDAC6 (0.43) PPARGPPARAPPARDKDM4EALDH1A1
SCHEMBL6543121 0.79 PPARG (0.51) ADRB3PPARGPPARAPPARDALDH1A1

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