SCHEMBL2305575

SCHEMBL2305575

COc1ccc(C(c2ccc(OC)c(OC)c2)C(C)C(C)C)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.51
PPARD Q03181 1/20 0.51
PPARA Q07869 1/20 0.51
ACHE P22303 5/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
HIF1A Q16665 2/20 0.42
SOAT2 O75908 1/20 0.41
SOAT1 P35610 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
SCHEMBL21743004 0.82 PPARG (0.54) PPARGPPARDPPARAACHECA1
SCHEMBL10343408 0.80 PPARG (0.66) PPARGPPARDPPARAACHECA1
SCHEMBL11287518 0.79 L3MBTL1 (0.55) PPARGPPARDPPARAACHECA1
SCHEMBL14032198 0.79 PPARG (0.55) PPARGPPARDPPARAACHECA1
SCHEMBL18737238 0.79 PPARG (0.55) PPARGPPARDPPARAACHECA1
SCHEMBL8741777 0.79 TUBB4A (0.53) KMT2ATDP1HIF1ATUBB4ATUBB
SCHEMBL84033 0.79 PPARG (0.53) PPARGPPARDPPARAACHECA1
SCHEMBL9052230 0.78 TSHR (0.49) NPSR1
SCHEMBL758673 0.78 PPARG (0.68) PPARGPPARDPPARAACHECA1
SCHEMBL6656697 0.77 PPARG (0.61) PPARGPPARDPPARAACHECA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3044593-A1 CANCER THERAPY Triact Therapeutics, Inc. (US) 2016-07-20 EP claimed
WO-2015035410-A1 CANCER THERAPY TRIACT THERAPEUTIC, INC. (US) 2015-03-12 WO claimed
EP-3044593-A1 CANCER THERAPY Triact Therapeutics, Inc. (US) 2016-07-20 EP disclosed
EP-2961412-A1 CANCER THERAPY Triact Therapeutics, Inc. (US) 2016-01-06 EP disclosed
WO-2015035410-A1 CANCER THERAPY TRIACT THERAPEUTIC, INC. (US) 2015-03-12 WO disclosed
WO-2014134202-A1 CANCER THERAPY TRIACT THERAPEUTICS, INC. (US) 2014-09-04 WO disclosed
EP-2349235-A1 USE OF CATECHOLIC BUTANE DERIVATIVES IN CANCER THERAPY Triact Therapeutics, Inc. (US) 2011-08-03 EP disclosed
WO-2010054264-A1 USE OF CATECHOLIC BUTANE DERIVATIVES IN CANCER THERAPY TRIACT THERAPEUTICS, INC. (US) 2010-05-14 WO disclosed