SCHEMBL2436469

SCHEMBL2436469

CC(C)(Oc1cccc(CCCNc2nc3ccccc3o2)c1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.63
PPARA Q07869 12/20 0.63
PPARD Q03181 6/20 0.63
HDAC6 Q9UBN7 1/20 0.44
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
P2RY14 Q15391 2/20 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
SCHEMBL6542974 0.90 PPARA (0.51) PPARGPPARAPPARDHDAC6P2RY14
SCHEMBL6542975 0.88 PPARA (0.58) PPARGPPARAPPARDHDAC6P2RY14
SCHEMBL6544252 0.86 PPARG (0.62) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL6544098 0.85 PPARG (0.61) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL6543404 0.84 PPARG (0.60) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL6543021 0.83 PPARG (0.59) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL6544109 0.83 PPARG (0.59) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL6543351 0.83 PPARA (0.54) PPARGPPARAPPARDHDAC6P2RY14
SCHEMBL1010861 0.83 PPARA (0.58) PPARGPPARAPPARDHDAC6
SCHEMBL2435340 0.82 PPARG (0.57) PPARGPPARAPPARDCYP4F2CYP4A11

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1433786-B1 Benzoxazole compound and pharmaceutical composition containing the compound KOWA CO (JP) 2011-09-21 EP disclosed
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