SCHEMBL20179985

SCHEMBL20179985

CCOC(O)OC(C)OC(=O)CCCN(Cc1ccccc1)c1cc(C(F)(F)F)ccc1C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.38
PPARA Q07869 3/20 0.38
PPARD Q03181 2/20 0.38
CETP P11597 4/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
DHFR P00374 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
TACR1 P25103 2/20 0.31
PTGES O14684 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
CXCR3 P49682 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL20137060 0.87 MGLL (0.41) PPARGPPARAPPARDCETPNR1H2
SCHEMBL20137125 0.86 MGLL (0.39) PPARGPPARAPPARDCETPNR1H2
SCHEMBL20157947 0.81 PPARG (0.36) PPARGPPARAPPARDCETPNR1H2
SCHEMBL20137037 0.80 KDM4E (0.38) PPARGPPARAPPARDCETPNR1H2
SCHEMBL20166910 0.80 KDM4E (0.39) PPARGPPARAPPARDCETPNR1H2
Hydrochloric Acid SCHEMBL20137043 0.80 KDM4E (0.37) PPARGPPARAPPARDCETPNR1H2
SCHEMBL20166820 0.79 ALOX5 (0.40) PPARGPPARAPPARDCETPNR1H2
SCHEMBL20137089 0.79 FFAR4 (0.39) PPARGPPARAPPARDCETPNR1H2
SCHEMBL29561187 0.79 FFAR4 (0.39) PPARGPPARAPPARDCETPNR1H2
Hydrochloric Acid SCHEMBL20137048 0.78 FFAR4 (0.39) PPARGPPARAPPARDCETPNR1H2

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
WO-2018093947-A1 MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-05-24 WO disclosed