SCHEMBL6684339

COc1cc(NC(=O)Nc2cc(Cl)c(C)c(Cl)c2O)cc(OC)c1OC.COc1cccc(NC(=O)Nc2cc(Cl)c(C)c(Cl)c2O)c1.Cc1c(Cl)cc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c(O)c1Cl.Cc1c(Cl)cc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)c(O)c1Cl.Cc1c(Cl)cc(NC(=O)Nc2ccc3c(c2)OCO3)c(O)c1Cl.Cc1c(Cl)cc(NC(=O)Nc2cccc3ccccc23)c(O)c1Cl.Cc1cccc(C)c1NC(=O)Nc1cc(Cl)c(C)c(Cl)c1O.Cc1ccccc1NC(=O)Nc1cc(Cl)c(C)c(Cl)c1O

nearest known ligand 0.40

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	EPHX2	P34913	9/20	0.40

▸	NPC1	O15118	4/20	0.39

▸	RAB9A	P51151	4/20	0.39

▸	KMT2A	Q03164	4/20	0.39

▸	MEN1	O00255	3/20	0.38

▸	TRPV1	Q8NER1	2/20	0.35

▸	TP53	P04637	2/20	0.35

▸	MAPT	P10636	2/20	0.35

▸	SMN1; SMN2	Q16637	2/20	0.35

▸	LMNA	P02545	1/20	0.35

▸	HTT	P42858	1/20	0.35

▸	KDM4E	B2RXH2	1/20	0.35

▸	ALDH1A1	P00352	1/20	0.35

▸	HPGD	P15428	1/20	0.35

▸	PKM	P14618	1/20	0.34

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
SCHEMBL6684172	0.84	EPHX2 (0.36)	EPHX2NPC1RAB9AKMT2AMEN1
SCHEMBL6681078	0.84	EPHX2 (0.48)	EPHX2KMT2AMEN1TRPV1LMNA
SCHEMBL6681621	0.83	EPHX2 (0.44)	EPHX2NPC1RAB9AKMT2AMEN1
SCHEMBL6251322	0.83	RAB9A (0.51)	NPC1RAB9AKMT2AMEN1TRPV1
SCHEMBL6248284	0.81	RAB9A (0.59)	NPC1RAB9AKMT2AMEN1TP53
SCHEMBL6251482	0.80	RAB9A (0.51)	NPC1RAB9AKMT2AMEN1TRPV1
SCHEMBL6251305	0.79	EPHX2 (0.53)	EPHX2KMT2AMEN1TRPV1MAPT
SCHEMBL6226060	0.76	EPHX2 (0.65)	EPHX2
SCHEMBL6686305	0.74	EPHX2 (0.49)	EPHX2KMT2AMEN1TRPV1MAPT
SCHEMBL6255295	0.70	EPHX2 (0.62)	EPHX2MAPTKDM4E

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-2004030664-A2	NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF	JERINI AG (DE)	2004-04-15	—	—	WO	claimed