SCHEMBL20787469

Cc1ccc(C(=O)Nc2ccc(C(=O)N[C@@H](CC(N)=O)C(=O)Nc3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc(S(=O)(=O)O)cc5)c(O)c4OC(C)C)cc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	PLAU	P00749	7/20	0.40

▸	HPN	P05981	6/20	0.40

▸	MMP9	P14780	1/20	0.39

▸	CA2	P00918	2/20	0.38

▸	CA1	P00915	1/20	0.38

▸	MEN1	O00255	2/20	0.37

▸	KMT2A	Q03164	2/20	0.37

▸	MAPK1	P28482	1/20	0.37

▸	CYP1A2	P05177	1/20	0.36

▸	CYP3A4	P08684	1/20	0.36

▸	CYP2C9	P11712	1/20	0.36

▸	ENPP1	P22413	2/20	0.35

▸	GAA	P10253	1/20	0.35

▸	ENPP3	O14638	1/20	0.35

▸	ENPP2	Q13822	1/20	0.35

▸	LMNA	P02545	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
SCHEMBL20764521	0.91	CA2 (0.36)	CA2CA1MEN1KMT2ALMNA
SCHEMBL20764517	0.91	CA2 (0.36)	CA2CA1MEN1KMT2ALMNA
SCHEMBL20788693	0.90	NPC1 (0.39)	PLAUHPNMEN1KMT2ACYP1A2
SCHEMBL20787628	0.89	MEN1 (0.41)	PLAUHPNMMP9CA2MEN1
SCHEMBL20787936	0.87	CA2 (0.40)	MMP9CA2CA1MEN1KMT2A
SCHEMBL22076704	0.87	CA2 (0.40)	MMP9CA2CA1MEN1KMT2A
SCHEMBL22076696	0.84	MMP2 (0.38)	PLAUCA2CA1MEN1KMT2A
SCHEMBL20764482	0.84	MEN1 (0.44)	PLAUMEN1KMT2ALMNA
SCHEMBL22076698	0.84	MMP2 (0.38)	PLAUCA2CA1MEN1KMT2A
SCHEMBL20764481	0.84	MEN1 (0.44)	PLAUMEN1KMT2ALMNA

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
WO-2019038405-A1	NOVEL CYSTOBACTAMIDE DERIVATIVES	Helmholtz-Zentrum für Infektionsforschung GmbH (DE)	2019-02-28	—	—	WO	disclosed