SCHEMBL7075480

SCHEMBL7075480

CCCCCCCN(CCc1ccc(OC(COC)OC)cc1)C(=O)Nc1ccc(OC)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.49
PPARA Q07869 6/20 0.49
PPARD Q03181 4/20 0.49
PLK1 P53350 1/20 0.43
PLK3 Q9H4B4 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL9255344 0.92 HDAC1 (0.48) PPARGPPARAPPARDPLK1PLK3
SCHEMBL9253022 0.83 PPARG (0.50) PPARGPPARAPPARDPLK1PLK3
SCHEMBL6941878 0.81 PPARA (0.72) PPARGPPARAPPARDPLK1PLK3
SCHEMBL8768153 0.81 PPARA (0.58) PPARGPPARAPPARDPLK1PLK3
SCHEMBL6743512 0.80 PPARA (0.51) PPARGPPARAPPARDPLK1PLK3
SCHEMBL6746522 0.80 PPARG (0.49) PPARGPPARAPPARDPLK1PLK3
SCHEMBL6747557 0.80 PPARA (0.51) PPARGPPARAPPARDPLK1PLK3
SCHEMBL6743515 0.80 PPARA (0.51) PPARGPPARAPPARDPLK1PLK3
SCHEMBL8923414 0.80 PPARA (0.56) PPARGPPARAPPARDPLK1PLK3
SCHEMBL6358106 0.79 PPARG (0.51) PPARGPPARAPPARDPLK1PLK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003513909-A 2003-04-15 JP claimed
EP-1229907-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-08-14 EP claimed
WO-2001034127-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-05-17 WO claimed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP claimed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO claimed
EP-1229907-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-08-14 EP disclosed
WO-2001034127-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-05-17 WO disclosed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed