SCHEMBL22930530

CCCCCCNC(=O)NCCCCNC(=O)NCCCCCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NC(CO)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	EPHX2	P34913	6/20	0.52

▸	TLR2	O60603	1/20	0.47

▸	GLP1R	P43220	8/20	0.44

▸	NOD1	Q9Y239	1/20	0.43

▸	KISS1R	Q969F8	1/20	0.41

▸	NMT2	O60551	2/20	0.40

▸	NMT1	P30419	2/20	0.40

▸	NPY1R	P25929	1/20	0.40

▸	NPY2R	P49146	1/20	0.40

▸	NPY4R	P50391	1/20	0.40

▸	NPY5R	Q15761	1/20	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
SCHEMBL4940275	1.00	EPHX2 (0.52)	EPHX2TLR2GLP1RNOD1KISS1R
SCHEMBL16329426	0.93	TLR2 (0.43)	EPHX2TLR2GLP1RNOD1KISS1R
SCHEMBL16358960	0.90	TLR2 (0.45)	EPHX2TLR2GLP1RNOD1NMT2
SCHEMBL10169928	0.90	OPRL1 (0.40)	EPHX2TLR2NMT2NMT1NPY1R
SCHEMBL16327185	0.87	TLR2 (0.47)	EPHX2TLR2GLP1RNOD1KISS1R
SCHEMBL14193566	0.84	GNPAT (0.40)	NMT2NMT1NPY1RNPY2RNPY4R
SCHEMBL29536066	0.84	GNPAT (0.50)	KISS1RNMT2NMT1NPY1RNPY2R
SCHEMBL7445419	0.84	EPHX2 (0.53)	EPHX2TLR2GLP1RNOD1NPY1R
SCHEMBL16553852	0.83	QRFPR (0.40)	NMT2NMT1NPY1RNPY2RNPY4R
SCHEMBL10532990	0.83	SIRT5 (0.45)	TLR2NMT2NMT1NPY1RNPY2R

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
US-10905796-B2	Supramolecular polymer blend	XELTIS AG (CH)	2021-02-02	—	—	US	disclosed