SCHEMBL7955842

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)c1ccccc1-c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	TGFBR1	P36897	3/20	0.42

▸	GPR119	Q8TDV5	4/20	0.40

▸	MMP13	P45452	4/20	0.38

▸	MMP1	P03956	1/20	0.38

▸	KDM4E	B2RXH2	1/20	0.38

▸	PKM	P14618	1/20	0.38

▸	F2	P00734	2/20	0.37

▸	LIMK2	P53671	1/20	0.36

▸	MYC	P01106	1/20	0.36

▸	MAX	P61244	1/20	0.36

▸	ACKR3	P25106	1/20	0.35

▸	LMNA	P02545	1/20	0.35

▸	YAP1	P46937	1/20	0.35

▸	STS	P08842	1/20	0.35

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
SCHEMBL6976038	0.90	TGFBR1 (0.48)	TGFBR1GPR119MMP13MMP1LIMK2
SCHEMBL6963440	0.90	CYP3A4 (0.41)	TGFBR1GPR119MMP13MMP1KDM4E
SCHEMBL7951214	0.88	TGFBR1 (0.44)	TGFBR1GPR119MMP13MMP1KDM4E
SCHEMBL6975825	0.86	ITGB3 (0.44)	TGFBR1GPR119MMP13MMP1KDM4E
SCHEMBL6962633	0.86	MMP13 (0.49)	TGFBR1GPR119MMP13MMP1KDM4E
SCHEMBL6963135	0.85	STS (0.48)	TGFBR1GPR119KDM4EPKMLMNA
SCHEMBL6970078	0.85	MMP13 (0.56)	MMP13MMP1KDM4EACKR3
SCHEMBL6975405	0.84	GPR119 (0.45)	TGFBR1GPR119KDM4EPKMF2
SCHEMBL6964258	0.84	MMP13 (0.50)	TGFBR1GPR119MMP13MMP1KDM4E
SCHEMBL6974976	0.84	CCR8 (0.40)	TGFBR1GPR119MMP13MMP1KDM4E

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-6333338-B1	ANTICOAGULANTS, CARDIOVASCULAR DISORDERS	LABORATOIRE L. LAFON (FR)	2001-12-25	—	—	US	disclosed