SCHEMBL6152515

SCHEMBL6152515

NC(=O)CCCC(C(N)=O)N1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
DPP7 Q9UHL4 2/20 0.37
SLC6A3 Q01959 11/20 0.36
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SLC6A2 P23975 9/20 0.34
LMNA P02545 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34

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
SCHEMBL2875257 0.84 SIGMAR1 (0.47) L3MBTL1SLC6A3MAPTMAPK1NPSR1
SCHEMBL10413132 0.82 SIGMAR1 (0.43) L3MBTL1SLC6A4SIGMAR1
Hydrochloric Acid SCHEMBL9697226 0.82 MAPT (0.49) L3MBTL1SLC6A3MAPTMAPK1NPSR1
SCHEMBL10696607 0.82 L3MBTL1 (0.49) L3MBTL1SLC6A3MAPTMAPK1NPSR1
SCHEMBL30463655 0.80 DPP7 (0.33) L3MBTL1DPP7SLC6A3MAPTMAPK1
SCHEMBL18939311 0.79 SLC6A3 (0.54) SLC6A3SLC6A2SLC6A4
SCHEMBL11180712 0.79 L3MBTL1 (0.46) L3MBTL1SLC6A3MAPTMAPK1NPSR1
SCHEMBL9697384 0.78 L3MBTL1 (0.46) L3MBTL1DPP7SLC6A3MAPTMAPK1
SCHEMBL18289737 0.77 MAPK1 (0.40) L3MBTL1SLC6A3MAPTMAPK1NPSR1
SCHEMBL23959715 0.77 SLC6A3 (0.55) SLC6A3SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124552-A4 ANTITUMOR CHRYSENE DERIVATIVES REGENTS BOARD OF (US) 2005-01-05 EP disclosed
EP-1124552-A1 ANTITUMOR CHRYSENE DERIVATIVES THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2001-08-22 EP disclosed
WO-2000024394-A1 ANTITUMOR CHRYSENE DERIVATIVES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2000-05-04 WO disclosed