SCHEMBL21431283

CCCCCC/C(=N\OC(C)=O)C(=O)c1ccc2c(c1)C(CCOCc1ccccc1)(CCOCc1ccccc1)c1cc(C(=O)/C(CCCCCC)=N/OC(C)=O)ccc1-2

nearest known ligand 0.35

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CETP	P11597	3/20	0.35

▸	PTPN1	P18031	2/20	0.34

▸	CES2	O00748	1/20	0.33

▸	CES1	P23141	1/20	0.33

▸	MEN1	O00255	1/20	0.33

▸	KMT2A	Q03164	1/20	0.33

▸	PLA2G4B	P0C869	2/20	0.33

▸	PPARG	P37231	1/20	0.33

▸	PPARA	Q07869	1/20	0.33

▸	EPHX2	P34913	1/20	0.32

▸	PTGS2	P35354	1/20	0.32

▸	CDC25B	P30305	1/20	0.32

▸	ALDH1A1	P00352	1/20	0.32

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
SCHEMBL21431271	0.89	RXRA (0.33)	CES2CES1
SCHEMBL24490485	0.85	PDK2 (0.36)	CES2CES1PTGS2
SCHEMBL24490481	0.85	PDK2 (0.36)	CES2CES1PTGS2
SCHEMBL24490462	0.85	PDK2 (0.36)	CES2CES1PTGS2
SCHEMBL21431260	0.85	CES2 (0.34)	CETPPTPN1CES2CES1MEN1
SCHEMBL21431262	0.83	MAPT (0.31)	ALDH1A1
SCHEMBL24490482	0.82	PDK2 (0.36)	CES2CES1PTGS2
SCHEMBL24490484	0.80	PDK2 (0.37)	CES2CES1PTGS2
SCHEMBL23895114	0.79	APEX1 (0.34)	KMT2A
SCHEMBL18123022	0.79	APEX1 (0.34)	MEN1KMT2ACDC25BALDH1A1

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
WO-2019188717-A1	COMPOUND, RADICAL POLYMERIZATION INITIATOR, COMPOSITION, CURED PRODUCT AND METHOD FOR PRODUCING CURED PRODUCT	株式会社ADEKA	2019-10-03	—	—	WO	disclosed