SCHEMBL30069130

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

nearest known ligand 0.50

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.50

▸	BACE1	P56817	4/20	0.45

▸	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

▸	OPRM1	P35372	1/20	0.44

▸	OPRD1	P41143	1/20	0.44

▸	OPRK1	P41145	1/20	0.44

▸	SYK	P43405	1/20	0.44

▸	CTSD	P07339	1/20	0.43

▸	KISS1R	Q969F8	3/20	0.43

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
SCHEMBL30069080	1.00	TFPI (0.50)	TFPIBACE1GRIN2DGRIN3BGRIN1
SCHEMBL30069097	0.95	TFPI (0.46)	TFPIBACE1OPRM1OPRD1OPRK1
SCHEMBL30069111	0.93	TFPI (0.59)	TFPIKISS1R
SCHEMBL30974451	0.93	BACE1 (0.47)	TFPIBACE1CTSD
SCHEMBL30069083	0.92	TFPI (0.52)	TFPIBACE1OPRM1OPRD1OPRK1
SCHEMBL30069076	0.92	TFPI (0.47)	TFPIBACE1GRIN2DGRIN3BGRIN1
SCHEMBL30069068	0.92	TFPI (0.47)	TFPIBACE1GRIN2DGRIN3BGRIN1
SCHEMBL30069066	0.90	TFPI (0.47)	TFPIBACE1GRIN2DGRIN3BGRIN1
SCHEMBL30069073	0.87	TFPI (0.48)	TFPIBACE1GRIN2DGRIN3BGRIN1
SCHEMBL30069133	0.87	TFPI (0.48)	TFPIBACE1GRIN2DGRIN3BGRIN1

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