SCHEMBL6544135

SCHEMBL6544135

CC(C)(Oc1ccc(CCNCCC(c2ccccc2)c2nc3ccccc3o2)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 3/20 0.56
PPARA Q07869 13/20 0.51
PPARG P37231 12/20 0.51
PPARD Q03181 4/20 0.51
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 3/20 0.43
PKM P14618 1/20 0.43
FABP2 P12104 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6543126 0.92 PPARA (0.50) ADRB3PPARAPPARGPPARDKDM4E
SCHEMBL6543944 0.90 PPARG (0.54) ADRB3PPARAPPARGPPARDKDM4E
SCHEMBL6543501 0.85 ADRB3 (0.39) ADRB3PPARAPPARGPPARDKDM4E
SCHEMBL6544050 0.85 PPARG (0.56) ADRB3PPARAPPARGPPARDKDM4E
SCHEMBL6543121 0.84 PPARG (0.51) ADRB3PPARAPPARGPPARDALDH1A1
SCHEMBL6544065 0.84 PPARA (0.47) ADRB3PPARAPPARGPPARDKDM4E
SCHEMBL6543036 0.84 PPARA (0.57) ADRB3PPARAPPARGPPARDKDM4E
SCHEMBL1009876 0.83 ADRB3 (0.56) ADRB3PPARAPPARGPPARDKDM4E
SCHEMBL6544269 0.83 ADRB3 (0.51) ADRB3PPARAPPARGPPARDKDM4E
SCHEMBL6543074 0.82 PPARG (0.39) ADRB3PPARAPPARGPPARDKDM4E

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