SCHEMBL6203331

SCHEMBL6203331

CCOC(CC)OCCc1ccc(OCc2nc(-c3cccs3)oc2C)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.65
PPARG P37231 12/20 0.59
PPARD Q03181 3/20 0.48
FFAR1 O14842 1/20 0.44
KDM4E B2RXH2 4/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 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
SCHEMBL4031028 0.84 PPARA (0.69) PPARAPPARGPPARDFFAR1KDM4E
SCHEMBL4027996 0.83 PPARG (0.71) PPARAPPARGPPARDKDM4E
SCHEMBL6204165 0.83 PPARA (0.78) PPARAPPARGPPARDFFAR1KDM4E
SCHEMBL4744872 0.81 PPARA (0.64) PPARAPPARGPPARDFFAR1KDM4E
SCHEMBL4029074 0.81 PPARG (0.68) PPARAPPARGPPARDKDM4E
SCHEMBL4025628 0.80 PPARA (0.71) PPARAPPARGPPARDFFAR1KDM4E
SCHEMBL4031030 0.80 PPARA (0.74) PPARAPPARGPPARDFFAR1KDM4E
SCHEMBL4025490 0.80 PPARA (0.70) PPARAPPARGPPARDFFAR1KDM4E
SCHEMBL13633880 0.79 PPARA (0.86) PPARAPPARGPPARDFFAR1
SCHEMBL4025234 0.79 PPARA (1.00) PPARAPPARGPPARDFFAR1

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-1569916-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD. (IN) 2005-09-07 EP disclosed
WO-2004046119-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2004-06-03 WO disclosed