SCHEMBL30956692

CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	3/20	0.51

▸	TFPI	P10646	1/20	0.50

▸	OPRL1	P41146	5/20	0.49

▸	RXFP1	Q9HBX9	1/20	0.48

▸	FNTA	P49354	1/20	0.47

▸	FNTB	P49356	1/20	0.47

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
SCHEMBL31670644	0.85	TFPI (0.54)	BACE1TFPIRXFP1
SCHEMBL29498759	0.84	TFPI (0.55)	TFPIOPRL1
SCHEMBL30957020	0.83	FNTA (0.62)	FNTAFNTB
SCHEMBL29973043	0.83	NPY4R (0.50)	FNTAFNTB
SCHEMBL31462010	0.83	QRFPR (0.52)	OPRL1
SCHEMBL29872147	0.83	FNTA (0.59)	FNTAFNTB
SCHEMBL30607336	0.82	NPY5R (0.51)	—
SCHEMBL31261771	0.82	TFPI (0.56)	BACE1TFPI
SCHEMBL30866932	0.82	NPY4R (0.55)	FNTAFNTB
SCHEMBL23273225	0.82	TFPI (0.54)	BACE1TFPIOPRL1

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
CN-118290520-A	Polypeptide specifically combined with triple negative breast cancer cells and application thereof	贵州医科大学	2024-07-05	—	—	CN	claimed
CN-118290520-A	Polypeptide specifically combined with triple negative breast cancer cells and application thereof	贵州医科大学	2024-07-05	—	—	CN	disclosed
CN-118290520-A	Polypeptide specifically combined with triple negative breast cancer cells and application thereof	贵州医科大学	2024-07-05	—	—	CN	disclosed