SCHEMBL30495654

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)O)C(C)C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	6/20	0.52

▸	XIAP	P98170	1/20	0.46

▸	RAMP1	O60894	1/20	0.45

▸	F2	P00734	3/20	0.44

▸	BACE1	P56817	3/20	0.43

▸	CTSD	P07339	2/20	0.43

▸	EPHA2	P29317	2/20	0.41

▸	KEAP1	Q14145	1/20	0.40

▸	PRMT5	O14744	1/20	0.40

▸	WDR77	Q9BQA1	1/20	0.40

▸	GRB2	P62993	1/20	0.40

▸	AGTR1	P30556	1/20	0.40

▸	AGTR2	P50052	1/20	0.40

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
SCHEMBL30957175	0.86	XIAP (0.51)	CALCRLXIAPF2EPHA2
SCHEMBL30532203	0.85	CALCRL (0.45)	CALCRLXIAPBACE1CTSDKEAP1
SCHEMBL29641660	0.85	CALCRL (0.44)	CALCRLXIAPBACE1CTSDEPHA2
SCHEMBL29641620	0.85	KDM1A (0.45)	CALCRLXIAPF2BACE1CTSD
SCHEMBL30844271	0.85	CALCRL (0.48)	CALCRLXIAPF2BACE1CTSD
SCHEMBL29641778	0.84	XIAP (0.47)	CALCRLXIAPGRB2
SCHEMBL30150572	0.84	ACE (0.47)	CALCRLXIAPRAMP1F2BACE1
SCHEMBL31332114	0.84	CALCRL (0.48)	CALCRLXIAPRAMP1F2BACE1
SCHEMBL30136886	0.84	NTSR2 (0.46)	CALCRL
SCHEMBL29901566	0.84	DPP4 (0.48)	XIAPF2GRB2

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-20230190887-A1	TARGETING G3BP AGGREGATION TO PREVENT NEURODEGENERATION	UNIVERSITY OF SOUTH CAROLINA (US)	2023-06-22	—	—	US	disclosed