SCHEMBL14366162

SCHEMBL14366162

O=C(O)c1ccccc1OCCN(Cc1ccccc1[N+](=O)[O-])c1nc2ccccc2o1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.44
PPARG P37231 13/20 0.44
PPARD Q03181 12/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL14366161 0.85 PPARA (0.49) PPARAPPARGPPARDNPC1RAB9A
SCHEMBL14366196 0.82 MAPT (0.47) PPARAPPARGPPARDNPC1RAB9A
SCHEMBL14366164 0.81 PPARA (0.52) PPARAPPARGPPARD
SCHEMBL5274279 0.80 PPARG (0.49) PPARAPPARGPPARD
SCHEMBL14366163 0.80 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL5579706 0.78 PPARA (0.52) PPARAPPARGPPARD
SCHEMBL14366174 0.78 PPARA (0.58) PPARAPPARGPPARD
SCHEMBL6544277 0.78 PPARA (0.51) PPARAPPARGPPARDNPC1RAB9A
SCHEMBL14366183 0.78 PPARA (0.57) PPARAPPARGPPARD
SCHEMBL6543018 0.78 PPARA (0.49) PPARAPPARGPPARDNPC1RAB9A

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-7301033-B2 PPAR-activating compound KOWA CO., LTD. (JP) 2007-11-27 US disclosed
US-7301033-B2 PPAR-activating compound KOWA CO., LTD. (JP) 2007-11-27 US disclosed