SCHEMBL24969321

SCHEMBL24969321

COc1cc(/C=C2/C(C)=C(CC(=O)NCc3ccco3)c3cc(F)ccc32)cc(OC)c1OC(=O)C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.45
RXRA P19793 1/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 2/20 0.41
HTT P42858 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 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
SCHEMBL24740963 0.92 LMNA (0.51) PPARGRXRAKDM4EALDH1A1LMNA
SCHEMBL17819186 0.90 PPARG (0.48) PPARGRXRAKDM4EALDH1A1LMNA
SCHEMBL17819189 0.90 PPARG (0.48) PPARGRXRAKDM4EALDH1A1LMNA
SCHEMBL17847725 0.89 PPARG (0.47) PPARGRXRAKDM4EALDH1A1LMNA
SCHEMBL17847726 0.89 PPARG (0.47) PPARGRXRAKDM4EALDH1A1LMNA
SCHEMBL17819249 0.89 PPARG (0.46) PPARGRXRAKDM4EALDH1A1LMNA
SCHEMBL17819251 0.89 PPARG (0.46) PPARGRXRAKDM4EALDH1A1LMNA
SCHEMBL17819188 0.89 PPARG (0.47) PPARGRXRAKDM4EALDH1A1LMNA
SCHEMBL24741250 0.89 PPARG (0.47) PPARGRXRAKDM4EALDH1A1LMNA
SCHEMBL17819190 0.89 PPARG (0.47) PPARGRXRAKDM4EALDH1A1LMNA

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
EP-3233794-B1 INDENYL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND MEDICAL USES THEREOF ADT PHARMACEUTICALS LLC (US) 2023-02-01 EP disclosed