SCHEMBL9005936

SCHEMBL9005936

COc1ccc(-c2nc(CCOc3ccc(CN(O)C(N)=O)cc3)c(C)o2)cc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.64
PPARA Q07869 16/20 0.64
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
KCNH2 Q12809 1/20 0.53

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
SCHEMBL9156966 0.93 PPARA (0.61) PPARGPPARA
SCHEMBL9005900 0.92 PPARG (0.60) PPARGPPARA
SCHEMBL8859196 0.91 PPARG (0.72) PPARGPPARA
SCHEMBL9005899 0.89 PPARA (0.58) PPARGPPARA
SCHEMBL9005933 0.86 PPARG (0.54) PPARGPPARA
SCHEMBL9005908 0.83 PPARA (0.53) PPARGPPARA
SCHEMBL6604087 0.82 PPARG (0.66) PPARGPPARA
SCHEMBL9258855 0.82 FFAR1 (0.67) PPARGPPARA
SCHEMBL9005928 0.82 PPARG (0.55) PPARGPPARA
SCHEMBL13718146 0.81 PPARA (0.93) PPARGPPARACYP2C9KCNH2

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
US-5541205-A ANTIINFLAMMATORY AGENTS; ANTIASTHMA AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-07-30 US disclosed
US-5428048-A Aryl-N-hydroxyureas as inhibitors of 5-lipoxygenase and anto-arteriosclerotic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1995-06-27 US disclosed