SCHEMBL14560652

SCHEMBL14560652

CCCCOc1ccc(C[C@H](OC)C(=O)OCC)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.56
PPARG P37231 7/20 0.56
PPARD Q03181 6/20 0.56
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPK1 P28482 1/20 0.50
ACACB O00763 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
PDE4A P27815 1/20 0.48
HIF1A Q16665 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
PTGES O14684 1/20 0.47
ALOX5 P09917 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL5380492 0.92 PPARA (0.54) PPARAPPARGPPARDSMN1; SMN2MEN1
SCHEMBL6574076 0.91 PPARA (0.53) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL5353565 0.91 PPARA (0.53) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL5374825 0.91 PPARA (0.56) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL5578945 0.91 PPARA (0.56) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL5382224 0.91 PPARA (0.53) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL5390548 0.91 PPARA (0.53) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL14392322 0.90 PPARG (0.58) PPARAPPARGPPARDSMN1; SMN2MAPK1
SCHEMBL6572930 0.89 PPARA (0.55) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL5379964 0.89 PPARA (0.53) PPARAPPARGPPARDMEN1KMT2A

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-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed