SCHEMBL30069111

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(=O)N[C@@H](CCCNC(=N)N)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.59

▸	RXFP1	Q9HBX9	2/20	0.47

▸	RAMP3	O60896	5/20	0.47

▸	CALCR	P30988	5/20	0.47

▸	IL23R	Q5VWK5	1/20	0.46

▸	KISS1R	Q969F8	3/20	0.45

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
SCHEMBL30069086	0.93	TFPI (0.61)	TFPIRXFP1KISS1R
SCHEMBL30069130	0.93	TFPI (0.50)	TFPIKISS1R
SCHEMBL30069080	0.93	TFPI (0.50)	TFPIKISS1R
SCHEMBL30069097	0.89	TFPI (0.46)	TFPIIL23R
SCHEMBL30432641	0.89	TFPI (0.51)	TFPI
SCHEMBL29940169	0.88	TFPI (0.51)	TFPIRAMP3CALCRKISS1R
SCHEMBL30974451	0.86	BACE1 (0.47)	TFPI
SCHEMBL30069083	0.86	TFPI (0.52)	TFPI
SCHEMBL30069076	0.86	TFPI (0.47)	TFPI
SCHEMBL30069068	0.86	TFPI (0.47)	TFPI

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