SCHEMBL6543207

SCHEMBL6543207

CC(C)(C)OC(=O)C(C)(C)Oc1cccc(CCNC2(c3nc4ccccc4o3)CCCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.44
PPARG P37231 9/20 0.44
PPARD Q03181 5/20 0.44
P2RY14 Q15391 2/20 0.37
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE7B Q9NP56 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL6543607 0.91 PPARG (0.54) PPARAPPARGPPARDP2RY14ALDH1A1
SCHEMBL6544107 0.82 PPARG (0.53) PPARAPPARGPPARDP2RY14ALDH1A1
SCHEMBL6544235 0.81 PPARA (0.51) PPARAPPARGPPARDALDH1A1MAPT
SCHEMBL6542974 0.78 PPARA (0.51) PPARAPPARGPPARDP2RY14SMN1; SMN2
SCHEMBL6543451 0.76 PPARG (0.52) PPARAPPARGPPARDMAPT
SCHEMBL6543204 0.75 PPARA (0.56) PPARAPPARGPPARDP2RY14ALDH1A1
SCHEMBL6544102 0.74 PPARA (0.44) PPARAPPARGPPARDP2RY14MAPT
SCHEMBL6543351 0.71 PPARA (0.54) PPARAPPARGPPARDP2RY14ALDH1A1
SCHEMBL6544165 0.71 TAAR1 (0.50) PPARAPPARGALDH1A1POLBSMN1; SMN2
SCHEMBL6544189 0.71 PPARG (0.47) PPARAPPARGPPARDALDH1A1POLB

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 1 patent. 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