SCHEMBL28517809

SCHEMBL28517809

NCCC(=O)CCC(=O)CCC(=O)CCC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.65
ACE P12821 1/20 0.55
LMNA P02545 6/20 0.53
EGLN1 Q9GZT9 4/20 0.53
ALKBH5 Q6P6C2 1/20 0.53
SUCNR1 Q9BXA5 1/20 0.53
KMT2A Q03164 3/20 0.52
THRB P10828 2/20 0.52
BLM P54132 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
TSHR P16473 2/20 0.52
GABRR3 A8MPY1 1/20 0.52
GABRP O00591 1/20 0.52
GABRD O14764 1/20 0.52
HDAC3 O15379 1/20 0.52
GABBR2 O75899 1/20 0.52
CYP1A2 P05177 1/20 0.52
GABRA1 P14867 1/20 0.52
GABRB1 P18505 1/20 0.52
GABRG2 P18507 1/20 0.52

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
SCHEMBL30593457 1.00 GABRR1 (0.65) GABRR1ACELMNAEGLN1ALKBH5
SCHEMBL16585471 1.00 GABRR1 (0.65) GABRR1ACELMNAEGLN1ALKBH5
SCHEMBL6697349 0.87 GABRR1 (0.45) GABRR1ACELMNAKMT2ATHRB
SCHEMBL4705539 0.87 GABRR1 (0.45) GABRR1ACELMNAKMT2ATHRB
Succinic Acid SCHEMBL5144503 0.84 LMNA (0.64) GABRR1ACELMNAEGLN1ALKBH5
Succinic Acid SCHEMBL27816299 0.84 LMNA (0.64) GABRR1ACELMNAEGLN1ALKBH5
SCHEMBL1603817 0.84 LMNA (0.75) GABRR1ACELMNAEGLN1ALKBH5
SCHEMBL562396 0.84 LMNA (0.75) GABRR1ACELMNAEGLN1ALKBH5
SCHEMBL22464687 0.84 LMNA (0.75) GABRR1ACELMNAEGLN1ALKBH5
SCHEMBL30203931 0.84 LMNA (0.75) GABRR1ACELMNAEGLN1ALKBH5

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111246873-B Optimized peptides for targeting human nerves and their use in image guided surgery, diagnosis and therapy delivery 加利福尼亚大学董事会 2024-03-01 CN disclosed
CN-107082810-B Anti-theophylline antibodies and methods of use 弗·哈夫曼-拉罗切有限公司 2020-12-25 CN disclosed