SCHEMBL6248993

SCHEMBL6248993

O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCCC12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 10/20 0.73
HDAC1 Q13547 9/20 0.73
HDAC6 Q9UBN7 5/20 0.64
HDAC3 O15379 3/20 0.64
HDAC7 Q8WUI4 3/20 0.64
HDAC2 Q92769 3/20 0.64
HDAC10 Q969S8 3/20 0.64
HDAC11 Q96DB2 3/20 0.64
HDAC8 Q9BY41 3/20 0.64
HDAC9 Q9UKV0 3/20 0.64
HDAC5 Q9UQL6 3/20 0.64
SMN1; SMN2 Q16637 1/20 0.58
TRPM8 Q7Z2W7 1/20 0.56
F2 P00734 2/20 0.55

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
SCHEMBL173749 1.00 HDAC4 (0.73) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL18311480 1.00 HDAC4 (0.73) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL2019443 1.00 HDAC4 (0.73) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL29355458 1.00 HDAC4 (0.73) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL22286556 1.00 HDAC4 (0.73) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL25986065 0.96 HDAC4 (0.72) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL30540151 0.96 HDAC4 (0.72) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL24614335 0.92 HDAC4 (0.64) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL24614260 0.92 HDAC4 (0.64) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL24614249 0.92 HDAC4 (0.64) HDAC4HDAC1HDAC6HDAC3HDAC7

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116686847-A Metabolite of bacillus atrophaeus LB6-2 and application thereof 新疆农业科学院植物保护研究所 2023-09-05 CN claimed
CN-116686847-A Metabolite of bacillus atrophaeus LB6-2 and application thereof 新疆农业科学院植物保护研究所 2023-09-05 CN disclosed
CN-116686847-A Metabolite of bacillus atrophaeus LB6-2 and application thereof 新疆农业科学院植物保护研究所 2023-09-05 CN disclosed
WO-2021104643-A1 PRESERVATIVE COMPOSITION CURIOUS D.O.O. (HR) 2021-06-03 WO disclosed
EP-1386543-B1 New bacterial strain and the use thereof MEDIPHARM AB (SE) 2005-08-17 EP disclosed
EP-1386543-A1 New bacterial strain and the use thereof Medipharm AB (SE) 2004-02-04 EP disclosed