SCHEMBL29526507

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)C(C)C)[C@@H](C)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.56

▸	MAPK8	P45983	1/20	0.56

▸	MAPK9	P45984	1/20	0.56

▸	MAPK10	P53779	1/20	0.56

▸	CALCR	P30988	4/20	0.55

▸	GLP1R	P43220	6/20	0.54

▸	GIPR	P48546	6/20	0.54

▸	MAOB	P27338	1/20	0.53

▸	KDM5A	P29375	1/20	0.53

▸	KDM1B	Q8NB78	1/20	0.53

▸	NPY1R	P25929	1/20	0.53

▸	NPY2R	P49146	1/20	0.53

▸	NPY4R	P50391	1/20	0.53

▸	NPY5R	Q15761	1/20	0.53

▸	REN	P00797	3/20	0.52

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
SCHEMBL30726564	0.97	KDM1A (0.59)	KDM1AMAPK8MAPK9MAPK10GLP1R
SCHEMBL30567734	0.90	MAPK8 (0.50)	KDM1AMAPK8MAPK9MAPK10CALCR
SCHEMBL31000900	0.86	CALCR (0.57)	CALCRGLP1RGIPR
SCHEMBL29949398	0.85	CALCR (0.59)	KDM1AMAPK8MAPK9MAPK10CALCR
SCHEMBL30567693	0.84	GLP1R (0.55)	CALCRGLP1RGIPR
SCHEMBL30567774	0.84	KEAP1 (0.51)	CALCRGLP1RGIPR
SCHEMBL30607283	0.84	MAPK8 (0.63)	KDM1AMAPK8MAPK9MAPK10CALCR
SCHEMBL30930189	0.84	KDM1A (0.53)	KDM1ACALCRMAOBKDM5AKDM1B
SCHEMBL30431804	0.83	MAPK8 (0.66)	KDM1AMAPK8MAPK9MAPK10CALCR
SCHEMBL31000913	0.83	CALCR (0.66)	CALCRGLP1RGIPRNPY1RNPY2R

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
WO-2022060131-A1	POLYETHYLENE GLYCOL DERIVATIVE, COMPOSITION COMPRISING SAME, AND METHOD FOR PREPARING BIOACTIVE POLYPEPTIDE CONJUGATE BY USING SAME	한미정밀화학 주식회사	2022-03-24	—	—	WO	disclosed