SCHEMBL31169711

SCHEMBL31169711

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.51
CTSD P07339 3/20 0.51
ECE1 P42892 3/20 0.48
PDCD1LG2 Q9BQ51 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL31064908 0.92 BACE1 (0.56) BACE1CTSDECE1PDCD1LG2CD274
SCHEMBL9852025 0.92 MME (0.44) BACE1CTSDECE1PDCD1LG2CD274
SCHEMBL29517369 0.92 MME (0.44) BACE1CTSDECE1PDCD1LG2CD274
SCHEMBL29697058 0.92 MME (0.44) BACE1CTSDECE1PDCD1LG2CD274
SCHEMBL9852027 0.92 MME (0.44) BACE1CTSDECE1PDCD1LG2CD274
SCHEMBL30068583 0.91 BACE1 (0.44) BACE1CTSDECE1PDCD1LG2CD274
SCHEMBL29696975 0.91 BACE1 (0.44) BACE1CTSDECE1PDCD1LG2CD274
SCHEMBL29889514 0.91 PDCD1LG2 (0.55) BACE1CTSDECE1PDCD1LG2CD274
Hydrochloric Acid SCHEMBL23404070 0.90 MME (0.43) BACE1CTSDECE1PDCD1LG2CD274
Hydrochloric Acid SCHEMBL23404085 0.90 MME (0.43) BACE1CTSDECE1PDCD1LG2CD274

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119040304-A Xylanase, encoding gene and application thereof 江西省农业科学院畜牧兽医研究所 2024-11-29 CN disclosed