SCHEMBL28365735

CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)OCc2ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN3C(=O)C=CC3=O)C(C)C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	FAP	Q12884	5/20	0.48

▸	MAP1LC3B	Q9GZQ8	2/20	0.39

▸	SIRT2	Q8IXJ6	8/20	0.39

▸	SIRT1	Q96EB6	7/20	0.39

▸	SIRT3	Q9NTG7	3/20	0.38

▸	NPY1R	P25929	2/20	0.38

▸	NPY4R	P50391	2/20	0.38

▸	NPY5R	Q15761	2/20	0.38

▸	NPY2R	P49146	1/20	0.38

▸	SIRT5	Q9NXA8	1/20	0.38

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
SCHEMBL14978945	0.95	FAP (0.48)	FAPMAP1LC3BSIRT2SIRT1SIRT3
SCHEMBL23420151	0.95	FAP (0.48)	FAPMAP1LC3BSIRT2SIRT1SIRT3
SCHEMBL27249189	0.95	FAP (0.48)	FAPMAP1LC3BSIRT2SIRT1SIRT3
SCHEMBL23843840	0.95	FAP (0.48)	FAPMAP1LC3BSIRT2SIRT1SIRT3
SCHEMBL23485287	0.95	FAP (0.48)	FAPMAP1LC3BSIRT2SIRT1SIRT3
SCHEMBL20733059	0.95	FAP (0.48)	FAPMAP1LC3BSIRT2SIRT1SIRT3
SCHEMBL17722931	0.95	FAP (0.48)	FAPMAP1LC3BSIRT2SIRT1SIRT3
SCHEMBL23420078	0.95	FAP (0.48)	FAPMAP1LC3BSIRT2SIRT1SIRT3
SCHEMBL22678894	0.95	FAP (0.48)	FAPMAP1LC3BSIRT2SIRT1SIRT3
SCHEMBL25094983	0.95	FAP (0.48)	FAPMAP1LC3BSIRT2SIRT1SIRT3

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
CN-110891605-A	Antibody conjugates of immunomodulatory compounds and uses thereof	希沃尔拜克治疗公司	2020-03-17	—	—	CN	disclosed