SCHEMBL9005898

SCHEMBL9005898

NC(=O)N(O)Cc1cccc(OCCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.57
PPARG P37231 3/20 0.57
TP53 P04637 10/20 0.48
LMNA P02545 4/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.44
SLC2A1 P11166 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
SCHEMBL9005921 0.89 TP53 (0.52) PPARAPPARGTP53LMNAMAPT
SCHEMBL9258919 0.79 PPARG (0.53) PPARAPPARGTP53LMNAMAPT
SCHEMBL9173584 0.79 PPARA (0.66) PPARAPPARGTP53MAPTKDM4E
SCHEMBL9178076 0.79 PPARA (0.66) PPARAPPARGTP53MAPT
SCHEMBL9005938 0.78 TP53 (0.45) TP53LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL9177913 0.78 PPARA (0.59) PPARAPPARGTP53LMNAMAPT
SCHEMBL9176979 0.73 PPARG (0.66) PPARAPPARG
SCHEMBL5015483 0.71 PPARD (0.56) PPARAPPARGTP53LMNAMAPT
SCHEMBL9594793 0.71 PPARA (0.55) PPARAPPARGTP53LMNAMAPT
SCHEMBL10518087 0.70 PPARA (0.58) PPARAPPARGTP53LMNAMAPT

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 4 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 claimed
US-5428048-A Aryl-N-hydroxyureas as inhibitors of 5-lipoxygenase and anto-arteriosclerotic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1995-06-27 US claimed
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