SCHEMBL29375236

CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)S)[C@@H](C)O

nearest known ligand 0.47

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.43

▸	IL23R	Q5VWK5	9/20	0.43

▸	KISS1R	Q969F8	3/20	0.40

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
SCHEMBL29374718	0.95	TFPI (0.44)	TFPIIL23RKISS1R
SCHEMBL31654013	0.88	IL23R (0.48)	TFPIIL23R
SCHEMBL31236827	0.87	IL23R (0.42)	IL23R
SCHEMBL31393356	0.86	OPRM1 (0.43)	IL23R
SCHEMBL30006401	0.85	OPRM1 (0.46)	IL23R
SCHEMBL29470904	0.85	TFPI (0.46)	TFPIIL23R
SCHEMBL29940601	0.84	IL23R (0.46)	IL23R
SCHEMBL30005436	0.82	IL23R (0.45)	IL23R
SCHEMBL29835247	0.82	NPY4R (0.45)	TFPIKISS1R
SCHEMBL31688348	0.82	VIPR1 (0.45)	IL23R

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
CN-114010783-B	Multifunctional boron-rich nano targeting preparation based on covalent organic framework material, and preparation method and application thereof	大连理工大学	2022-10-18	—	—	CN	disclosed
CN-114010783-A	Multifunctional boron-rich nano targeting preparation based on covalent organic framework material, and preparation method and application thereof	大连理工大学	2022-02-08	—	—	CN	disclosed