SCHEMBL6542948

SCHEMBL6542948

CC(C)(C)OC(=O)C(C)(C)Oc1ccc(CCCNCCCc2nc3ccccc3o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.47
PPARA Q07869 6/20 0.47
PPARD Q03181 2/20 0.47
ALDH1A1 P00352 1/20 0.40
MAPT P10636 5/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 2/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ADRB3 P13945 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
SCHEMBL2438034 0.89 PPARA (0.58) PPARGPPARAPPARDMAPTKDM4E
SCHEMBL7252733 0.88 PPARG (0.47) PPARGPPARAPPARDALDH1A1MAPT
SCHEMBL6544141 0.88 PPARA (0.56) PPARGPPARAPPARDMAPTMTNR1A
SCHEMBL6543066 0.87 PPARA (0.57) PPARGPPARAPPARDMAPTMTNR1A
SCHEMBL6544080 0.87 PPARA (0.57) PPARGPPARAPPARDALDH1A1MAPT
SCHEMBL6542915 0.87 PPARA (0.57) PPARGPPARAPPARDMAPTKDM4E
SCHEMBL2440537 0.84 PPARG (0.45) PPARGPPARAPPARDALDH1A1MAPT
SCHEMBL6543171 0.84 PPARA (0.56) PPARGPPARAPPARDALDH1A1MAPT
SCHEMBL6543344 0.83 PPARA (0.57) PPARGPPARAPPARDALDH1A1MAPT
SCHEMBL6544132 0.83 PPARA (0.54) PPARGPPARAPPARDMAPTKDM4E

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