SCHEMBL11568684

SCHEMBL11568684

CCCN(CCC)C(=O)Oc1ccc(SCC(OC)OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
SRD5A1 P18405 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 2/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
TP53 P04637 2/20 0.33
MAOA P21397 2/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL11563166 0.81 MEN1 (0.44) KMT2AMEN1SRD5A1SMN1; SMN2HSD17B10
SCHEMBL11562985 0.79 MEN1 (0.42) KMT2AMEN1SRD5A1SMN1; SMN2HSD17B10
SCHEMBL11567376 0.79 MEN1 (0.42) KMT2AMEN1SRD5A1SMN1; SMN2HSD17B10
SCHEMBL1773871 0.76 APP (0.47) KMT2AMEN1MTNR1AMTNR1BCA1
SCHEMBL28298919 0.73 KMT2A (0.58) KMT2AMEN1SRD5A1SMN1; SMN2HSD17B10
SCHEMBL17835334 0.71 NQO1 (0.50) KMT2AMEN1SMN1; SMN2RAB9ACA1
SCHEMBL9273164 0.69 BACE1 (0.40) HSD17B10CA1CA2CA7CA9
SCHEMBL9269290 0.69 NR5A1 (0.50) HSD17B10RAB9ALMNATP53NPC1
SCHEMBL3831691 0.69 MTNR1A (0.39) KMT2AMEN1RAB9AMTNR1AMTNR1B
SCHEMBL1775357 0.68 APP (0.39) L3MBTL1MAOA

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
US-4163112-A INSECTICIDES VELSICOL CHEMICAL CORPORATION (US) 1979-07-31 US disclosed