SCHEMBL7973833

SCHEMBL7973833

O=C1c2ccccc2C(=O)N1CCNCCNCCNCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.68
HEXA P06865 1/20 0.68
HEXB P07686 1/20 0.68
SIRT1 Q96EB6 3/20 0.62
GLS O94925 1/20 0.57
ACHE P22303 4/20 0.54
TERT O14746 1/20 0.51
NPC1 O15118 1/20 0.50
CASP3 P42574 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50

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
SCHEMBL805142 0.98 OGA (0.70) OGAHEXAHEXBSIRT1GLS
SCHEMBL7476248 0.90 SIRT1 (0.66) OGAHEXAHEXBSIRT1ACHE
SCHEMBL28437687 0.89 HEXA (0.60) OGAHEXAHEXBSIRT1GLS
SCHEMBL3197666 0.89 TERT (0.67) OGAHEXAHEXBSIRT1GLS
Acetic Acid SCHEMBL4521454 0.87 OGA (0.58) OGAHEXAHEXBSIRT1ACHE
SCHEMBL20818051 0.87 ALDH1A1 (0.59) OGAHEXAHEXBSIRT1GLS
SCHEMBL1210939 0.86 OGA (0.57) OGAHEXAHEXBSIRT1GLS
SCHEMBL9218494 0.86 ACHE (0.66) SIRT1ACHE
SCHEMBL10282631 0.86 SIRT1 (0.60) OGAHEXAHEXBSIRT1ACHE
SCHEMBL6298448 0.86 SIRT1 (0.60) OGAHEXAHEXBSIRT1ACHE

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
WO-2001005748-A1 OLIGOMERIC AMINO ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS MONSANTO COMPANY (US) 2001-01-25 WO disclosed