SCHEMBL30069100

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

nearest known ligand 0.48

Predicted protein targets (top 8)

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

▸	BACE1	P56817	11/20	0.47

▸	BACE2	Q9Y5Z0	2/20	0.47

▸	OPRM1	P35372	1/20	0.46

▸	OPRD1	P41143	1/20	0.46

▸	OPRK1	P41145	1/20	0.46

▸	CTSD	P07339	3/20	0.46

▸	SYK	P43405	1/20	0.44

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
SCHEMBL30069083	0.94	TFPI (0.52)	TFPIBACE1BACE2OPRM1OPRD1
SCHEMBL30069097	0.89	TFPI (0.46)	TFPIBACE1BACE2OPRM1OPRD1
SCHEMBL30069086	0.88	TFPI (0.61)	TFPI
SCHEMBL30069130	0.86	TFPI (0.50)	TFPIBACE1OPRM1OPRD1OPRK1
SCHEMBL30069080	0.86	TFPI (0.50)	TFPIBACE1OPRM1OPRD1OPRK1
SCHEMBL29772030	0.85	EGFR (0.47)	TFPIBACE1OPRM1OPRD1OPRK1
SCHEMBL30069133	0.85	TFPI (0.48)	TFPIBACE1CTSD
SCHEMBL30272505	0.84	BACE1 (0.42)	BACE1OPRM1OPRD1CTSD
SCHEMBL29771986	0.82	BACE1 (0.56)	BACE1BACE2CTSD
SCHEMBL29695472	0.81	BACE1 (0.46)	BACE1BACE2OPRD1CTSD

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