SCHEMBL25438103

[CH2]c1ccc(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CTSL	P07711	1/20	0.41

▸	KLKB1	P03952	2/20	0.38

▸	FURIN	P09958	9/20	0.37

▸	ROCK2	O75116	1/20	0.37

▸	PDF	Q9HBH1	1/20	0.37

▸	CALCRL	Q16602	1/20	0.36

▸	PLG	P00747	1/20	0.35

▸	HRH1	P35367	2/20	0.34

▸	NMT2	O60551	1/20	0.34

▸	NMT1	P30419	1/20	0.34

▸	SSTR3	P32745	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
SCHEMBL25360798	0.91	FURIN (0.37)	CTSLFURINROCK2
SCHEMBL25361709	0.91	FURIN (0.37)	CTSLFURINROCK2
SCHEMBL25359008	0.90	CTSL (0.38)	CTSLKLKB1FURINROCK2PDF
SCHEMBL20541625	0.86	CASP1 (0.35)	—
SCHEMBL25359743	0.86	CALCRL (0.51)	ROCK2CALCRLPLGSSTR3
SCHEMBL25363467	0.86	CALCRL (0.51)	ROCK2CALCRLPLGSSTR3
SCHEMBL26026944	0.85	SIRT5 (0.38)	CTSLKLKB1FURINROCK2
SCHEMBL25350530	0.84	FURIN (0.35)	FURIN
SCHEMBL28650727	0.84	FURIN (0.39)	CTSLKLKB1FURINROCK2
SCHEMBL28580456	0.84	FURIN (0.39)	CTSLKLKB1FURINROCK2

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-4103236-B1	FOLATE RECEPTOR TARGETED NANOPARTICLE DRUG CONJUGATES AND USES THEREOF	ELUCIDA ONCOLOGY INC (US)	2023-08-16	—	—	EP	disclosed