SCHEMBL14047518

CC1=C(CCC(=O)NCC(C)C(=O)NC2CSSCC(C(=O)NCC(=O)O)NC(=O)C(Cc3ccccc3)NC(=O)C(N)CSSCC(C(=O)NC(CCCNC(=N)N)CONCC(=O)NC(C=O)CC(=O)O)NC(=O)C(CC(=O)O)NC2=O)C(=O)OC1=O

nearest known ligand 0.38

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	PLAU	P00749	2/20	0.38

▸	F12	P00748	5/20	0.37

▸	KLKB1	P03952	4/20	0.37

▸	CTSG	P08311	2/20	0.36

▸	KRAS	P01116	3/20	0.35

▸	ALB	P02768	1/20	0.34

▸	SSTR1	P30872	2/20	0.34

▸	SSTR2	P30874	2/20	0.34

▸	SSTR4	P31391	2/20	0.34

▸	SSTR3	P32745	2/20	0.34

▸	SSTR5	P35346	2/20	0.34

▸	TSLP	Q969D9	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
SCHEMBL14029285	0.79	PLAU (0.57)	PLAUKLKB1CTSGALBTSLP
SCHEMBL16325673	0.73	AVPR1A (0.42)	F12KRASSSTR1SSTR2SSTR4
SCHEMBL13113585	0.72	PLAU (0.51)	PLAUF12KLKB1CTSGKRAS
SCHEMBL16349623	0.68	PLAU (0.46)	PLAUKLKB1CTSGKRASSSTR1
SCHEMBL16349705	0.67	SSTR2 (0.47)	PLAUKLKB1CTSGKRASSSTR1
SCHEMBL13113570	0.67	SSTR2 (0.44)	PLAUF12KLKB1KRASALB
SCHEMBL13113566	0.67	SSTR2 (0.50)	PLAUKLKB1CTSGALBSSTR1
SCHEMBL13287941	0.66	SSTR2 (0.50)	PLAUKLKB1CTSGALBSSTR1
SCHEMBL12082795	0.65	IL23R (0.52)	PLAUF12CTSGSSTR1SSTR2
SCHEMBL13113564	0.65	KLK7 (0.44)	PLAUF12KLKB1ALBSSTR1

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-7442764-B2	Reversible modification of amine-containing compounds	MIRNS BIO CORPORATION (US)	2008-10-28	—	—	US	disclosed