SCHEMBL9005915

SCHEMBL9005915

Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CCOc1c(Cl)cc(CN(O)C(N)=O)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.51
PPARG P37231 15/20 0.51
PTPN1 P18031 2/20 0.43
CYP2C9 P11712 1/20 0.42
KCNH2 Q12809 1/20 0.42
PPARD Q03181 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
SCHEMBL9005899 0.86 PPARA (0.58) PPARAPPARGPTPN1
SCHEMBL9005897 0.84 PPARA (0.50) PPARAPPARGPTPN1CYP2C9KCNH2
SCHEMBL9175578 0.80 PPARG (0.56) PPARAPPARGCYP2C9KCNH2
SCHEMBL9263906 0.79 PPARG (0.55) PPARAPPARGPTPN1CYP2C9KCNH2
SCHEMBL9176979 0.78 PPARG (0.66) PPARAPPARGCYP2C9KCNH2
SCHEMBL9005900 0.76 PPARG (0.60) PPARAPPARGPPARD
SCHEMBL9156966 0.75 PPARA (0.61) PPARAPPARGPPARD
SCHEMBL9005933 0.75 PPARG (0.54) PPARAPPARGPPARD
SCHEMBL9005936 0.74 PPARG (0.64) PPARAPPARGCYP2C9KCNH2
SCHEMBL8859196 0.73 PPARG (0.72) PPARAPPARGPPARD

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