SCHEMBL6976038

CCOC(=O)[C@H](CNC(=O)CNC(=O)C(CCC1CCN(C(=O)O)CC1)CCC1CCN(C(=O)OC(C)(C)C)CC1)NS(=O)(=O)c1ccc(-c2cccs2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	TGFBR1	P36897	2/20	0.48

▸	MMP13	P45452	14/20	0.43

▸	MMP1	P03956	6/20	0.40

▸	MMP3	P08254	5/20	0.40

▸	MMP9	P14780	5/20	0.40

▸	MMP8	P22894	5/20	0.40

▸	MMP2	P08253	5/20	0.40

▸	MMP7	P09237	4/20	0.40

▸	GPR119	Q8TDV5	2/20	0.40

▸	LIMK2	P53671	1/20	0.38

▸	ACKR3	P25106	1/20	0.37

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
SCHEMBL6962633	0.92	MMP13 (0.49)	TGFBR1MMP13MMP1MMP3MMP9
SCHEMBL7951214	0.90	TGFBR1 (0.44)	TGFBR1MMP13MMP1MMP3MMP9
SCHEMBL7955842	0.90	TGFBR1 (0.42)	TGFBR1MMP13MMP1GPR119LIMK2
SCHEMBL6963440	0.90	CYP3A4 (0.41)	TGFBR1MMP13MMP1GPR119
SCHEMBL6964258	0.90	MMP13 (0.50)	TGFBR1MMP13MMP1MMP3MMP9
SCHEMBL6964185	0.89	GPR119 (0.48)	MMP13MMP1MMP3MMP9MMP8
SCHEMBL6963385	0.88	STS (0.46)	MMP13MMP1MMP3MMP9MMP8
SCHEMBL6968993	0.88	MMP13 (0.50)	TGFBR1MMP13MMP1MMP3MMP9
SCHEMBL6976930	0.88	TGFBR1 (0.45)	TGFBR1MMP13
SCHEMBL6974078	0.88	TGFBR1 (0.46)	TGFBR1MMP13MMP1MMP3MMP9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1098878-B1	BISPIPERIDINES AS ANTITHROMBOTIC AGENTS	CEPHALON FRANCE (FR)	2003-12-17	—	—	EP	disclosed
US-6333338-B1	ANTICOAGULANTS, CARDIOVASCULAR DISORDERS	LABORATOIRE L. LAFON (FR)	2001-12-25	—	—	US	disclosed