SCHEMBL6544098

SCHEMBL6544098

CC(C)(Oc1cccc(CCCNCCc2nc3ccccc3o2)c1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.61
PPARA Q07869 12/20 0.61
PPARD Q03181 8/20 0.61
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.41
TP53 P04637 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 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
SCHEMBL6544252 0.97 PPARG (0.62) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL6544109 0.96 PPARG (0.59) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL6543404 0.95 PPARG (0.60) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL6543077 0.95 PPARG (0.60) PPARGPPARAPPARDMAPT
SCHEMBL6543021 0.95 PPARG (0.59) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL6543898 0.94 PPARG (0.58) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL6543114 0.93 PPARG (0.57) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL6542939 0.91 PPARG (0.56) PPARGPPARAPPARDMAPTRAB9A
SCHEMBL6544067 0.91 PPARG (0.56) PPARGPPARAPPARDMAPT
SCHEMBL6542915 0.90 PPARA (0.57) PPARGPPARAPPARDMAPT

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