SCHEMBL16500105

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)NCC(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	1/20	0.48

▸	PLG	P00747	1/20	0.48

▸	PRSS1	P07477	1/20	0.48

▸	PRSS2	P07478	1/20	0.48

▸	PRSS3	P35030	1/20	0.48

▸	TPSAB1	Q15661	1/20	0.48

▸	CAPN1	P07384	2/20	0.43

▸	TDP1	Q9NUW8	5/20	0.43

▸	FOLH1	Q04609	3/20	0.41

▸	CNR1	P21554	2/20	0.40

▸	SLC18A3	Q16572	1/20	0.39

▸	PIN1	Q13526	1/20	0.39

▸	LCK	P06239	1/20	0.38

▸	CA12	O43570	1/20	0.38

▸	CA1	P00915	1/20	0.38

▸	CA2	P00918	1/20	0.38

▸	CA9	Q16790	1/20	0.38

▸	MEN1	O00255	1/20	0.38

▸	ABL1	P00519	1/20	0.38

▸	LMNA	P02545	1/20	0.38

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
SCHEMBL29744917	0.80	TDP1 (0.62)	CAPN1TDP1FOLH1CNR1CA12
SCHEMBL8267823	0.79	F2 (0.57)	F2PLGPRSS1PRSS2PRSS3
SCHEMBL2863866	0.78	XIAP (0.49)	—
SCHEMBL2863862	0.78	XIAP (0.49)	—
SCHEMBL2863793	0.77	XIAP (0.47)	—
SCHEMBL2863798	0.77	XIAP (0.47)	—
SCHEMBL2862847	0.77	XIAP (0.46)	—
SCHEMBL2862844	0.77	XIAP (0.46)	—
SCHEMBL23071552	0.76	XIAP (0.47)	—
SCHEMBL2868843	0.76	XIAP (0.47)	—

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
EP-2621537-B1	PENTAPEPTIDE DERIVATIVES FOR PROMOTING HAIR GROWTH	ELFETIN COSMETICS AG (CH)	2015-02-25	—	—	EP	claimed