SCHEMBL13904007

CC(=O)OCC1OC(NC(=O)C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OC(C)(C)C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	PRKCA	P17252	1/20	0.45

▸	AKT1	P31749	1/20	0.45

▸	PTK2	Q05397	1/20	0.45

▸	LMNA	P02545	1/20	0.41

▸	TSHR	P16473	1/20	0.41

▸	CA12	O43570	7/20	0.41

▸	CA1	P00915	7/20	0.41

▸	CA2	P00918	7/20	0.41

▸	CA9	Q16790	7/20	0.41

▸	CA14	Q9ULX7	7/20	0.41

▸	TNF	P01375	2/20	0.40

▸	MDM4	O15151	1/20	0.39

▸	TP53	P04637	1/20	0.39

▸	MMP9	P14780	1/20	0.39

▸	MMP12	P39900	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.

Compound	similarity	top predicted	shared targets
SCHEMBL30608555	0.93	LMNA (0.45)	PRKCAAKT1PTK2LMNATSHR
SCHEMBL13163903	0.92	PRKCA (0.47)	PRKCAAKT1PTK2LMNATSHR
SCHEMBL14402257	0.84	LMNA (0.42)	PRKCAAKT1PTK2LMNATSHR
SCHEMBL6044028	0.83	LMNA (0.50)	LMNATSHRTNFMDM4TP53
SCHEMBL23627104	0.81	LMNA (0.45)	LMNATSHRCA1CA2CA9
SCHEMBL30608556	0.79	LMNA (0.44)	LMNATNFMMP9MMP12
SCHEMBL23626685	0.79	LMNA (0.44)	LMNATNFMMP9MMP12
SCHEMBL16305905	0.77	MDM4 (0.49)	MDM4TP53
SCHEMBL29907890	0.77	MDM4 (0.49)	MDM4TP53
SCHEMBL30895728	0.77	MDM4 (0.49)	MDM4TP53

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-20090075396-A1	Biosensors	UNIVERSITY OF MARYLAND OFFICE OF TECHNOLOGY COMMERCIALIZATION (US)	2009-03-19	—	—	US	disclosed