SCHEMBL8740397

CC(C)(C)OC(=O)N[C@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCNC(=N)N.N=C(N)NCCC[C@@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)OC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.42

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	3/20	0.42

▸	PRSS1	P07477	1/20	0.42

▸	PLG	P00747	3/20	0.39

▸	CMA1	P23946	5/20	0.39

▸	ITGB3	P05106	10/20	0.38

▸	ITGA2B	P08514	10/20	0.38

▸	CTRC	Q99895	1/20	0.36

▸	PLAT	P00750	1/20	0.36

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
SCHEMBL6669444	0.94	F2 (0.41)	F2PRSS1PLGPLAT
SCHEMBL6673600	0.92	F2 (0.48)	F2PRSS1PLGCMA1ITGB3
SCHEMBL6670339	0.92	F2 (0.48)	F2PRSS1PLGCMA1ITGB3
SCHEMBL6670351	0.85	ITGB3 (0.48)	F2PRSS1PLGCMA1ITGB3
SCHEMBL8366341	0.83	F2 (0.56)	F2PRSS1PLGCMA1CTRC
SCHEMBL6669956	0.81	F2 (0.44)	F2PRSS1PLGPLAT
SCHEMBL7371676	0.81	F2 (0.64)	F2PRSS1PLGCMA1CTRC
SCHEMBL8361533	0.78	F2 (0.44)	F2PRSS1PLGPLAT
SCHEMBL7463324	0.78	F2 (0.60)	F2PRSS1PLGPLAT
SCHEMBL9450495	0.77	ITGB3 (0.44)	F2PRSS1CMA1ITGB3ITGA2B

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0564586-A4	AQUEOUS VAGINAL DOUCHE AND RELATED METHODS	BOMBART FELICE (US)	1997-02-26	—	—	EP	disclosed
EP-0564586-A1	AQUEOUS VAGINAL DOUCHE AND RELATED METHODS	BOMBART, Felice (US)	1993-10-13	—	—	EP	disclosed
WO-1992010998-A1	AQUEOUS VAGINAL DOUCHE AND RELATED METHODS	BOMBART FELICE (US)	1992-07-09	—	—	WO	disclosed