SCHEMBL29367178

C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](CO)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(=O)O

nearest known ligand 0.44

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	NMT1	P30419	4/20	0.44

▸	NMT2	O60551	3/20	0.44

▸	MME	P08473	2/20	0.41

▸	TLR2	O60603	1/20	0.40

▸	FOLH1	Q04609	1/20	0.39

▸	SIRT2	Q8IXJ6	1/20	0.39

▸	SIRT5	Q9NXA8	1/20	0.39

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
SCHEMBL29367039	0.98	NMT2 (0.43)	NMT1NMT2MMEFOLH1SIRT2
SCHEMBL29364543	0.92	NMT1 (0.47)	NMT1NMT2TLR2SIRT2SIRT5
SCHEMBL29364513	0.92	NMT2 (0.43)	NMT1NMT2FOLH1SIRT2SIRT5
SCHEMBL31020749	0.92	BACE1 (0.44)	MME
SCHEMBL827832	0.91	NMT2 (0.45)	NMT1NMT2TLR2FOLH1
SCHEMBL28382531	0.91	NMT2 (0.45)	NMT1NMT2TLR2FOLH1
SCHEMBL28382528	0.91	NMT2 (0.45)	NMT1NMT2TLR2FOLH1
SCHEMBL827833	0.91	NMT2 (0.45)	NMT1NMT2TLR2FOLH1
SCHEMBL29366758	0.91	SIRT2 (0.42)	NMT1NMT2TLR2SIRT2SIRT5
SCHEMBL30974486	0.89	ERAP2 (0.43)	—

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