SCHEMBL30385132

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

nearest known ligand 0.63

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.63

▸	IL23R	Q5VWK5	4/20	0.62

▸	KEAP1	Q14145	1/20	0.61

▸	NPY4R	P50391	8/20	0.60

▸	NPY1R	P25929	5/20	0.60

▸	NPY2R	P49146	4/20	0.60

▸	NPY5R	Q15761	4/20	0.60

▸	OPRM1	P35372	1/20	0.59

▸	OPRD1	P41143	1/20	0.59

▸	OPRK1	P41145	1/20	0.59

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
SCHEMBL29770069	0.96	TFPI (0.63)	TFPIIL23RKEAP1OPRM1OPRD1
SCHEMBL29430569	0.92	TFPI (0.70)	TFPIIL23RNPY4RNPY1RNPY2R
SCHEMBL29463760	0.91	NPY4R (0.63)	TFPIIL23RKEAP1NPY4RNPY1R
Dynorphin B SCHEMBL30415641	0.90	TFPI (0.65)	TFPIIL23RKEAP1OPRM1OPRD1
SCHEMBL31683364	0.89	TFPI (0.67)	TFPIKEAP1
SCHEMBL31031515	0.89	TFPI (0.63)	TFPIIL23RNPY2R
SCHEMBL29834939	0.88	TFPI (0.62)	TFPIIL23RKEAP1NPY4RNPY1R
SCHEMBL29834951	0.88	TFPI (0.62)	TFPIIL23RKEAP1NPY4RNPY1R
SCHEMBL30087253	0.88	NPY4R (0.67)	TFPIKEAP1NPY4RNPY1RNPY2R
SCHEMBL30358048	0.88	IL23R (0.58)	TFPIIL23RKEAP1

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-114748604-B	Compound for bone marrow damage and/or inhibition	四川大学	2023-04-07	—	—	CN	disclosed