SCHEMBL8716282

SCHEMBL8716282

CN(CCCCOc1ccccc1C=O)c1nc2ccccc2o1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.47
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PPARA Q07869 1/20 0.44
NPC1 O15118 1/20 0.41
ATP4A P20648 3/20 0.41
ATP4B P51164 3/20 0.41

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
SCHEMBL8716289 0.97 PPARG (0.48) PPARGALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL8429668 0.93 PPARG (0.53) PPARGALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL6806357 0.83 ATP4A (0.57) PPARGPPARAATP4AATP4B
SCHEMBL7830197 0.80 PPARG (0.57) PPARGPPARA
SCHEMBL6802249 0.80 PPARG (0.57) PPARGPPARAATP4AATP4B
SCHEMBL9472948 0.78 PPARG (0.57) PPARGPPARAATP4AATP4B
SCHEMBL3105795 0.78 PPARG (0.49) PPARGPPARANPC1
SCHEMBL9472944 0.77 PPARG (0.56) PPARGPPARAATP4AATP4B
SCHEMBL9472938 0.77 PPARG (0.56) PPARGPPARAATP4AATP4B
SCHEMBL4744468 0.76 PPARG (0.63) PPARGPPARAATP4AATP4B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756525-A USING A THIAZOLIDINEDIONE COMPOUND BEECHAM GROUP PLC (GB) 1998-05-26 US disclosed