SCHEMBL6544252

SCHEMBL6544252

CC(C)(Oc1cccc(CCCNCCCc2nc3ccccc3o2)c1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.62
PPARA Q07869 9/20 0.62
PPARD Q03181 5/20 0.62
RAB9A P51151 1/20 0.44
MTNR1A P48039 4/20 0.43
MTNR1B P49286 4/20 0.43
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
MAPT P10636 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL6543404 0.98 PPARG (0.60) PPARGPPARAPPARDRAB9AMTNR1A
SCHEMBL6543021 0.97 PPARG (0.59) PPARGPPARAPPARDRAB9AMTNR1A
SCHEMBL6544098 0.97 PPARG (0.61) PPARGPPARAPPARDRAB9AMTNR1A
SCHEMBL6544109 0.97 PPARG (0.59) PPARGPPARAPPARDRAB9AMTNR1A
SCHEMBL6543898 0.94 PPARG (0.58) PPARGPPARAPPARDRAB9AMTNR1A
SCHEMBL6543114 0.94 PPARG (0.57) PPARGPPARAPPARDRAB9ACYP4F2
SCHEMBL6542939 0.94 PPARG (0.56) PPARGPPARAPPARDRAB9AMTNR1A
SCHEMBL6543077 0.92 PPARG (0.60) PPARGPPARAPPARDMAPT
SCHEMBL6542943 0.91 PPARA (0.56) PPARGPPARAPPARDRAB9AMTNR1A
SCHEMBL2435340 0.90 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 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