SCHEMBL28019672

SCHEMBL28019672

CCCCOC(=O)NC1CCC(NC(C)=O)CC1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
EPHX1 P07099 3/20 0.49
ALDH1A1 P00352 2/20 0.46
NAAA Q02083 2/20 0.44
ACHE P22303 6/20 0.42

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
SCHEMBL4719490 0.93 GAA (0.59) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL13387564 0.93 GAA (0.59) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL16526220 0.88 GAA (0.66) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL8259162 0.87 GAA (0.54) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL8257128 0.87 GAA (0.54) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL8260235 0.87 GAA (0.54) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL4282209 0.87 GAA (0.54) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL2575225 0.87 GAA (0.54) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL4282204 0.87 GAA (0.54) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL10793711 0.86 GAA (0.68) GAAMAPK1HTTSMN1; SMN2EPHX1

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-104876927-A APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LAB 2015-09-02 CN disclosed
CN-102448959-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE BAHAMAS LTD 2015-06-17 CN disclosed