SCHEMBL6544109

SCHEMBL6544109

CC(C)(Oc1cccc(CCNCCCc2nc3ccccc3o2)c1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.59
PPARA Q07869 9/20 0.59
PPARD Q03181 5/20 0.59
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 1/20 0.41
ADRB3 P13945 3/20 0.41
TP53 P04637 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 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
SCHEMBL6543898 0.97 PPARG (0.58) PPARGPPARAPPARDMAPTKDM4E
SCHEMBL6544252 0.97 PPARG (0.62) PPARGPPARAPPARDMAPTRAB9A
SCHEMBL6543114 0.96 PPARG (0.57) PPARGPPARAPPARDMAPTKDM4E
SCHEMBL6544098 0.96 PPARG (0.61) PPARGPPARAPPARDMAPTRAB9A
SCHEMBL6543404 0.95 PPARG (0.60) PPARGPPARAPPARDMAPTRAB9A
SCHEMBL6543077 0.95 PPARG (0.60) PPARGPPARAPPARDMAPTKDM4E
SCHEMBL6543021 0.95 PPARG (0.59) PPARGPPARAPPARDMAPTRAB9A
SCHEMBL6542939 0.93 PPARG (0.56) PPARGPPARAPPARDMAPTRAB9A
SCHEMBL6542943 0.90 PPARA (0.56) PPARGPPARAPPARDMAPTRAB9A
SCHEMBL6544080 0.90 PPARA (0.57) 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 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