SCHEMBL29836412

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

nearest known ligand 0.58

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.57

▸	IL23R	Q5VWK5	11/20	0.57

▸	F2	P00734	2/20	0.56

▸	VIPR2	P41587	3/20	0.55

▸	VIPR1	P32241	2/20	0.53

▸	ECE1	P42892	1/20	0.53

▸	GLP1R	P43220	1/20	0.53

▸	MUS81	Q96NY9	1/20	0.53

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
SCHEMBL30168689	0.97	TFPI (0.57)	TFPIIL23RF2VIPR2VIPR1
SCHEMBL29836399	0.96	TFPI (0.59)	TFPIIL23RF2VIPR2VIPR1
SCHEMBL29836540	0.95	TFPI (0.63)	TFPIIL23RF2VIPR2VIPR1
SCHEMBL29836514	0.95	TFPI (0.64)	TFPIIL23RF2VIPR1ECE1
SCHEMBL29836414	0.94	IL23R (0.58)	TFPIIL23RF2
SCHEMBL30168722	0.93	TFPI (0.59)	TFPIIL23RF2VIPR2VIPR1
SCHEMBL30168723	0.92	TFPI (0.62)	TFPIIL23RF2VIPR2VIPR1
SCHEMBL30168765	0.92	TFPI (0.63)	TFPIIL23RF2VIPR2VIPR1
SCHEMBL30168754	0.91	IL23R (0.58)	TFPIIL23RF2
SCHEMBL29836287	0.90	TFPI (0.62)	TFPIIL23RF2VIPR1ECE1

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-11434484-B2	Three-component CRISPR/Cas complex system and uses thereof	THE JACKSON LABORATORY (US)	2022-09-06	—	—	US	disclosed