SCHEMBL14600451

CC(C)(C)Oc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6c7ccccc7c(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)c7ccccc67)c6ccccc56)ccc3-4)c3ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	PDK2	Q15119	13/20	0.38

▸	KIF11	P52732	1/20	0.35

▸	PPARG	P37231	3/20	0.34

▸	PPARA	Q07869	3/20	0.34

▸	CYP2C9	P11712	1/20	0.34

▸	CYP2C19	P33261	1/20	0.34

▸	PPARD	Q03181	1/20	0.34

▸	GPR174	Q9BXC1	1/20	0.31

▸	RIPK1	Q13546	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.

Compound	similarity	top predicted	shared targets
SCHEMBL14600376	1.00	PDK2 (0.38)	PDK2KIF11PPARGPPARACYP2C9
SCHEMBL14600424	0.99	PDK2 (0.40)	PDK2KIF11PPARGPPARACYP2C9
SCHEMBL14600492	0.99	PDK2 (0.40)	PDK2KIF11PPARGPPARACYP2C9
SCHEMBL14600386	0.99	PDK2 (0.39)	PDK2KIF11PPARGPPARACYP2C9
SCHEMBL14600325	0.99	PDK2 (0.39)	PDK2KIF11PPARGPPARACYP2C9
SCHEMBL14600429	0.97	PDK2 (0.41)	PDK2KIF11PPARGPPARACYP2C9
SCHEMBL14600356	0.97	PDK2 (0.41)	PDK2KIF11PPARGPPARACYP2C9
SCHEMBL14600418	0.96	KIF11 (0.38)	PDK2KIF11PPARGPPARACYP2C9
SCHEMBL14600475	0.95	PDK2 (0.37)	PDK2KIF11PPARGPPARACYP2C9
SCHEMBL14600340	0.95	KIF11 (0.38)	PDK2KIF11PPARGPPARACYP2C9

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-7166240-B2	Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements	MITSUI CHEMICALS, INC. (JP)	2007-01-23	—	—	US	disclosed