SCHEMBL29367373

C[C@H](N)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(N)=O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.64

Predicted protein targets (top 1)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	19/20	0.64

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
SCHEMBL27602608	0.96	IL23R (0.61)	IL23R
SCHEMBL11990801	0.96	IL23R (0.61)	IL23R
SCHEMBL11592550	0.96	IL23R (0.61)	IL23R
SCHEMBL11592493	0.96	IL23R (0.61)	IL23R
SCHEMBL27602616	0.96	IL23R (0.61)	IL23R
SCHEMBL11578176	0.94	IL23R (0.59)	IL23R
SCHEMBL11881751	0.94	IL23R (0.63)	IL23R
SCHEMBL11881838	0.94	IL23R (0.63)	IL23R
SCHEMBL11593910	0.93	IL23R (0.62)	IL23R
SCHEMBL11593966	0.93	IL23R (0.62)	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 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