SCHEMBL6543018

SCHEMBL6543018

CC(C)(Oc1ccccc1CN(Cc1ccccc1[N+](=O)[O-])c1nc2ccccc2o1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.49
PPARG P37231 9/20 0.49
PPARD Q03181 7/20 0.49
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SNCA P37840 1/20 0.37

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
SCHEMBL6543464 0.93 PPARA (0.48) PPARAPPARGPPARDNPC1LMNA
SCHEMBL6544277 0.92 PPARA (0.51) PPARAPPARGPPARDNPC1LMNA
SCHEMBL2440051 0.89 PPARA (0.58) PPARAPPARGPPARDNPC1LMNA
SCHEMBL6543108 0.86 PPARA (0.68) PPARAPPARGPPARD
SCHEMBL6544104 0.85 PPARA (0.54) PPARAPPARGPPARDKDM4EALDH1A1
SCHEMBL6543072 0.85 PPARA (0.67) PPARAPPARGPPARDALDH1A1
SCHEMBL6542927 0.83 PPARA (0.54) PPARAPPARGPPARDNPC1
SCHEMBL6544281 0.82 PPARA (0.55) PPARAPPARGPPARD
SCHEMBL6542969 0.82 PPARA (0.56) PPARAPPARGPPARD
SCHEMBL6542809 0.81 PPARA (0.67) 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
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