SCHEMBL28997464

SCHEMBL28997464

O=C(NCCC1CCCCC1)c1cc(=O)c2ccccc2o1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.72
MAOB P27338 5/20 0.72
BCHE P06276 5/20 0.72
LMNA P02545 1/20 0.60
ALOX5 P09917 5/20 0.59
MAOA P21397 4/20 0.59
METTL3 Q86U44 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
METTL14 Q9HCE5 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
SCHEMBL21174991 0.99 ACHE (0.74) ACHEMAOBBCHELMNAALOX5
SCHEMBL19743761 0.89 METTL3 (0.65) ACHEMAOBBCHELMNAMAOA
SCHEMBL29986215 0.89 METTL3 (0.65) ACHEMAOBBCHELMNAMAOA
SCHEMBL21174951 0.88 LMNA (0.66) ACHEMAOBBCHELMNAMAOA
SCHEMBL21174992 0.82 MAOB (0.68) ACHEMAOBLMNAMAOASMN1; SMN2
SCHEMBL21175007 0.82 MAOB (0.68) ACHEMAOBLMNAMAOASMN1; SMN2
SCHEMBL21175008 0.79 LMNA (0.63) ACHEMAOBBCHELMNAMAOA
SCHEMBL19744273 0.78 RAB9A (0.68) ACHEMAOBBCHELMNASMN1; SMN2
SCHEMBL30224961 0.78 RAB9A (0.68) ACHEMAOBBCHELMNASMN1; SMN2
SCHEMBL21174996 0.78 LMNA (0.62) ACHEMAOBBCHELMNAMETTL3

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-109641864-B Anti-infective agents 邓迪大学 2023-04-04 CN disclosed