SCHEMBL30413638

C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O

nearest known ligand 0.61

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	19/20	0.61

▸	TFPI	P10646	1/20	0.58

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
SCHEMBL30413127	0.98	IL23R (0.61)	IL23R
SCHEMBL30414074	0.97	TFPI (0.60)	IL23RTFPI
SCHEMBL30577892	0.97	IL23R (0.62)	IL23RTFPI
SCHEMBL29418231	0.96	TFPI (0.62)	IL23RTFPI
SCHEMBL29426546	0.96	TFPI (0.62)	IL23RTFPI
SCHEMBL22807671	0.95	TFPI (0.64)	IL23RTFPI
SCHEMBL30414079	0.95	TFPI (0.63)	IL23RTFPI
SCHEMBL30413575	0.94	IL23R (0.62)	IL23RTFPI
SCHEMBL30412542	0.94	TFPI (0.59)	IL23RTFPI
SCHEMBL29372983	0.94	TFPI (0.64)	IL23RTFPI

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-20230201380-A1	NON-INVASIVE AND LONGITUDINAL MONITORING OF MICROGLIAL ACTIVATION IN RAT BRAIN WITH SUPERMAGNETIC NANOPARTICLE ENHANCED MR IMAGING	UNM RAINFOREST INNOVATIONS (US)	2023-06-29	—	—	US	disclosed