SCHEMBL30607413

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.66

▸	KISS1R	Q969F8	9/20	0.60

▸	BACE1	P56817	6/20	0.60

▸	BACE2	Q9Y5Z0	2/20	0.59

▸	NPY4R	P50391	3/20	0.58

▸	NPY1R	P25929	2/20	0.58

▸	NPY2R	P49146	2/20	0.58

▸	NPY5R	Q15761	2/20	0.58

▸	VIPR1	P32241	1/20	0.58

▸	CTSD	P07339	1/20	0.56

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
SCHEMBL30262077	0.95	TFPI (0.67)	TFPIKISS1RBACE1BACE2VIPR1
SCHEMBL31174227	0.91	NPY4R (0.62)	TFPIKISS1RBACE1BACE2NPY4R
SCHEMBL30436211	0.91	BACE1 (0.61)	TFPIBACE1BACE2NPY4RNPY1R
SCHEMBL31047374	0.91	TFPI (0.66)	TFPIKISS1RBACE1BACE2VIPR1
SCHEMBL29558454	0.91	TFPI (0.69)	TFPIBACE1BACE2NPY4RNPY1R
SCHEMBL31307284	0.90	TFPI (0.56)	TFPIKISS1RBACE1BACE2NPY4R
SCHEMBL31419699	0.90	TFPI (0.71)	TFPIBACE1BACE2VIPR1
SCHEMBL8998005	0.90	TFPI (0.66)	TFPIKISS1RVIPR1
SCHEMBL8997940	0.90	TFPI (0.66)	TFPIKISS1RVIPR1
SCHEMBL30350066	0.90	VIPR1 (0.65)	TFPIKISS1RNPY4RNPY1RNPY2R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-12383505-B2	Nanoparticle for the remodeling of cancer-associated fibroblasts	UNIVERSITY OF SOUTH CAROLINA (US)	2025-08-12	—	—	US	disclosed
US-20230310331-A1	NANOPARTICLE FOR THE REMODELING OF CANCER-ASSOCIATED FIBROBLASTS	UNIVERSITY OF SOUTH CAROLINA (US)	2023-10-05	—	—	US	disclosed