SCHEMBL17847950

SCHEMBL17847950

COc1ccc2c(c1)C(CC(=O)N(C)Cc1ccccc1)=C(C)/C2=C\c1cc(OC)c(O)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.46
MAPK1 P28482 2/20 0.43
LCK P06239 1/20 0.43
RXRA P19793 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
TSPO P30536 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39

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
SCHEMBL17854864 1.00 PPARG (0.46) PPARGMAPK1LCKRXRAKDM4E
SCHEMBL17847945 1.00 PPARG (0.46) PPARGMAPK1LCKRXRAKDM4E
SCHEMBL17848001 0.90 PPARG (0.54) PPARGMAPK1RXRAKDM4EMAPT
SCHEMBL17847956 0.90 PPARG (0.54) PPARGMAPK1RXRAKDM4EMAPT
SCHEMBL17847957 0.90 PPARG (0.54) PPARGMAPK1RXRAKDM4EMAPT
SCHEMBL17847972 0.86 PPARG (0.42) PPARGLCKRXRAKDM4EGAA
SCHEMBL17847971 0.86 PPARG (0.42) PPARGLCKRXRAKDM4EGAA
SCHEMBL17819223 0.83 PPARG (0.61) PPARGMAPK1LCKRXRAKDM4E
SCHEMBL17819226 0.83 PPARG (0.61) PPARGMAPK1LCKRXRAKDM4E
SCHEMBL29547032 0.83 PPARG (0.61) PPARGMAPK1LCKRXRAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233071-B1 METHOD OF TREATING OR PREVENTING RAS-MEDIATED DISEASES ADT PHARMACEUTICALS LLC (US) 2019-09-18 EP claimed
EP-3233071-A1 METHOD OF TREATING OR PREVENTING RAS-MEDIATED DISEASES ADT Pharmaceuticals, Inc. (US) 2017-10-25 EP claimed
WO-2016100546-A1 METHOD OF TREATING OR PREVENTING RAS-MEDIATED DISEASES ADT PHARMACEUTICALS, INC. (US) 2016-06-23 WO claimed
EP-3666268-A1 METHOD OF TREATING OR PREVENTING RAS-MEDIATED DISEASES ADT Pharmaceuticals, LLC (US) 2020-06-17 EP disclosed
EP-3233071-B1 METHOD OF TREATING OR PREVENTING RAS-MEDIATED DISEASES ADT PHARMACEUTICALS LLC (US) 2019-09-18 EP disclosed
EP-3233071-A1 METHOD OF TREATING OR PREVENTING RAS-MEDIATED DISEASES ADT Pharmaceuticals, Inc. (US) 2017-10-25 EP disclosed
WO-2016100546-A1 METHOD OF TREATING OR PREVENTING RAS-MEDIATED DISEASES ADT PHARMACEUTICALS, INC. (US) 2016-06-23 WO disclosed