SCHEMBL29521532

CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.66

▸	MAOB	P27338	1/20	0.66

▸	KDM5A	P29375	1/20	0.66

▸	KDM1B	Q8NB78	1/20	0.66

▸	C5AR1	P21730	1/20	0.62

▸	EPHA2	P29317	2/20	0.61

▸	NPY2R	P49146	5/20	0.60

▸	NPY4R	P50391	5/20	0.60

▸	NPY5R	Q15761	5/20	0.60

▸	NPY1R	P25929	4/20	0.60

▸	TFPI	P10646	5/20	0.60

▸	NMUR2	Q9GZQ4	2/20	0.60

▸	NMUR1	Q9HB89	2/20	0.60

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
SCHEMBL31665900	0.91	KDM1A (0.60)	KDM1AMAOBKDM5AKDM1BC5AR1
SCHEMBL31031455	0.91	KDM1A (0.65)	KDM1AMAOBKDM5AKDM1BC5AR1
SCHEMBL30495741	0.91	KDM1A (0.70)	KDM1AMAOBKDM5AKDM1BEPHA2
SCHEMBL31031546	0.90	KDM1A (0.67)	KDM1AMAOBKDM5AKDM1BNPY2R
SCHEMBL30844350	0.89	KDM1A (0.62)	KDM1AMAOBKDM5AKDM1BC5AR1
SCHEMBL31027702	0.89	EPHA2 (0.65)	KDM1AEPHA2NPY2RNPY4RNPY5R
SCHEMBL29395807	0.89	KDM1A (0.64)	KDM1AMAOBKDM5AKDM1BEPHA2
SCHEMBL30844318	0.89	EPHA2 (0.63)	KDM1AMAOBKDM5AKDM1BEPHA2
SCHEMBL30844294	0.89	EPHA2 (0.63)	KDM1AMAOBKDM5AKDM1BEPHA2
SCHEMBL30844258	0.89	EPHA2 (0.63)	KDM1AMAOBKDM5AKDM1BEPHA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-114366819-B	Placenta focus specific drug distribution delivery system and preparation method and application thereof	中山大学附属第一医院	2023-01-31	—	—	CN	claimed
CN-114366819-B	Placenta focus specific drug distribution delivery system and preparation method and application thereof	中山大学附属第一医院	2023-01-31	—	—	CN	disclosed
CN-114366819-A	Placenta focus specific drug distribution delivery system and preparation method and application thereof	中山大学附属第一医院	2022-04-19	—	—	CN	disclosed