SCHEMBL29366758

C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](N)CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CO)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	SIRT2	Q8IXJ6	1/20	0.42

▸	SIRT5	Q9NXA8	1/20	0.42

▸	NMT2	O60551	1/20	0.42

▸	NMT1	P30419	1/20	0.42

▸	GRIN2D	O15399	1/20	0.41

▸	GRIN3B	O60391	1/20	0.41

▸	GRIN1	Q05586	1/20	0.41

▸	GRIN2A	Q12879	1/20	0.41

▸	GRIN2B	Q13224	1/20	0.41

▸	GRIN2C	Q14957	1/20	0.41

▸	GRIN3A	Q8TCU5	1/20	0.41

▸	KISS1R	Q969F8	3/20	0.41

▸	TLR2	O60603	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
SCHEMBL29366801	0.94	SIRT2 (0.44)	SIRT2SIRT5NMT2NMT1GRIN2D
SCHEMBL29367039	0.93	NMT2 (0.43)	SIRT2SIRT5NMT2NMT1
SCHEMBL29367178	0.91	NMT1 (0.44)	SIRT2SIRT5NMT2NMT1TLR2
SCHEMBL29367438	0.89	NMT1 (0.47)	SIRT2SIRT5NMT2NMT1TLR2
SCHEMBL29364513	0.89	NMT2 (0.43)	SIRT2SIRT5NMT2NMT1
SCHEMBL31688346	0.85	BACE1 (0.43)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL38658689	0.84	BACE1 (0.48)	—
SCHEMBL23639479	0.84	BACE1 (0.45)	—
SCHEMBL29530673	0.84	FOLH1 (0.41)	NMT2NMT1
SCHEMBL31020749	0.83	BACE1 (0.44)	KISS1R

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-109311910-B	Tacrolimus conjugates, compositions thereof, and uses thereof	杜兰教育基金委员会	2022-02-01	—	—	CN	claimed
CN-109311910-B	Tacrolimus conjugates, compositions thereof, and uses thereof	杜兰教育基金委员会	2022-02-01	—	—	CN	disclosed