SCHEMBL30069133

CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](N)CO)C(=O)N[C@H](CO)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CCC(N)=O)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.48

▸	EGFR	P00533	1/20	0.44

▸	KEAP1	Q14145	1/20	0.44

▸	GRIN2D	O15399	1/20	0.44

▸	GRIN3B	O60391	1/20	0.44

▸	GRIN1	Q05586	1/20	0.44

▸	GRIN2A	Q12879	1/20	0.44

▸	GRIN2B	Q13224	1/20	0.44

▸	GRIN2C	Q14957	1/20	0.44

▸	GRIN3A	Q8TCU5	1/20	0.44

▸	PTPN1	P18031	2/20	0.43

▸	YWHAZ	P63104	1/20	0.43

▸	BACE1	P56817	3/20	0.43

▸	CTSD	P07339	1/20	0.42

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
SCHEMBL30069073	0.96	TFPI (0.48)	TFPIEGFRKEAP1GRIN2DGRIN3B
SCHEMBL30069105	0.95	BACE1 (0.46)	TFPIEGFRBACE1CTSD
SCHEMBL30069092	0.94	TFPI (0.47)	TFPIEGFRKEAP1GRIN2DGRIN3B
SCHEMBL30069083	0.92	TFPI (0.52)	TFPIBACE1CTSD
SCHEMBL30069076	0.91	TFPI (0.47)	TFPIKEAP1GRIN2DGRIN3BGRIN1
SCHEMBL30069068	0.91	TFPI (0.47)	TFPIKEAP1GRIN2DGRIN3BGRIN1
SCHEMBL29771975	0.91	BACE1 (0.49)	EGFRPTPN1BACE1CTSD
SCHEMBL29772030	0.90	EGFR (0.47)	TFPIEGFRPTPN1YWHAZBACE1
SCHEMBL30069066	0.90	TFPI (0.47)	TFPIKEAP1GRIN2DGRIN3BGRIN1
SCHEMBL29772029	0.87	OPRM1 (0.46)	TFPIEGFRKEAP1GRIN2DGRIN3B

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-11524045-B2	Peptides for dry eye disease	ALLYSTA PHARMACEUTICALS, INC. (US)	2022-12-13	—	—	US	claimed
US-11524045-B2	Peptides for dry eye disease	ALLYSTA PHARMACEUTICALS, INC. (US)	2022-12-13	—	—	US	disclosed