SCHEMBL29839261

C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	12/20	0.47

▸	OPRD1	P41143	1/20	0.46

▸	CTSD	P07339	1/20	0.46

▸	MME	P08473	3/20	0.45

▸	ACE	P12821	2/20	0.45

▸	CPA1	P15085	1/20	0.45

▸	ACE2	Q9BYF1	1/20	0.45

▸	CASP1	P29466	1/20	0.44

▸	FOLH1	Q04609	1/20	0.43

▸	BACE2	Q9Y5Z0	1/20	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
SCHEMBL29517104	0.89	ACE (0.55)	MMEACECPA1ACE2FOLH1
SCHEMBL31366730	0.86	OPRD1 (0.53)	OPRD1MMEACE
SCHEMBL30799540	0.85	OPRD1 (0.54)	BACE1OPRD1CTSDCASP1BACE2
SCHEMBL31406596	0.84	KISS1R (0.53)	BACE1OPRD1CTSDMMEACE
SCHEMBL31514357	0.84	FOLH1 (0.58)	OPRD1MMEACECPA1ACE2
SCHEMBL29396026	0.84	BACE1 (0.52)	BACE1OPRD1CTSDMMEACE
SCHEMBL29349965	0.83	ACE (0.58)	MMEACECPA1ACE2FOLH1
SCHEMBL29592666	0.83	NPY5R (0.49)	BACE1OPRD1CTSDBACE2
SCHEMBL31721890	0.82	PDCD1LG2 (0.53)	BACE1OPRD1CTSDMMEACE
SCHEMBL30407854	0.82	OPRD1 (0.57)	BACE1OPRD1CTSDBACE2

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
CN-114807105-A	Lyase with strong temperature tolerance, preparation method and application	吉林大学	2022-07-29	—	—	CN	disclosed