SCHEMBL8858181

CCCN1CCN(CCCCN2CC(CN3CCC(CC(=O)OCC)(C(=O)OCC)CC3)OC2=O)CC1.CCCN1CCN(CCCCN2CC(COS(C)(=O)=O)OC2=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	L3MBTL1	Q9Y468	2/20	0.34

▸	MAPK1	P28482	1/20	0.34

▸	KDM4E	B2RXH2	2/20	0.33

▸	MEN1	O00255	2/20	0.33

▸	KMT2A	Q03164	2/20	0.33

▸	ITGB3	P05106	1/20	0.33

▸	ITGA2B	P08514	1/20	0.33

▸	SMN1; SMN2	Q16637	1/20	0.30

▸	ALDH1A1	P00352	1/20	0.30

▸	POLB	P06746	1/20	0.30

▸	HTT	P42858	1/20	0.30

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
SCHEMBL7310379	0.92	ITGB3 (0.37)	L3MBTL1MAPK1KDM4EMEN1KMT2A
SCHEMBL8858107	0.92	KDM4E (0.33)	L3MBTL1MAPK1KDM4EMEN1KMT2A
SCHEMBL8858162	0.91	KDM4E (0.33)	KDM4EMEN1KMT2AITGB3ITGA2B
SCHEMBL8858178	0.91	MEN1 (0.41)	L3MBTL1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8858191	0.89	MEN1 (0.42)	L3MBTL1MAPK1KDM4EMEN1KMT2A
SCHEMBL7316892	0.87	ITGB3 (0.37)	L3MBTL1KDM4EMEN1KMT2AITGB3
SCHEMBL8858192	0.86	ITGB3 (0.34)	L3MBTL1MAPK1KDM4EMEN1KMT2A
SCHEMBL8858111	0.86	LMNA (0.41)	L3MBTL1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8858095	0.85	MEN1 (0.37)	KDM4EMEN1KMT2AITGB3ITGA2B
SCHEMBL7305713	0.84	ITGB3 (0.37)	L3MBTL1KDM4EMEN1KMT2AITGB3

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-5627197-A	Adhesion receptor antagonists	MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE)	1997-05-06	—	—	US	disclosed