SCHEMBL9829282

SCHEMBL9829282

O=C(O)CCCCNC(=O)C1(c2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
HTT P42858 1/20 0.60
LMNA P02545 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HDAC4 P56524 2/20 0.47
MAPK1 P28482 1/20 0.47
TSHR P16473 2/20 0.47
OPRL1 P41146 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM5 P08912 1/20 0.45
CHRM3 P20309 1/20 0.45
ATM Q13315 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
ERCC1 P07992 1/20 0.45
ERCC4 Q92889 1/20 0.45
GLS O94925 1/20 0.44

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
SCHEMBL9831308 0.95 SMN1; SMN2 (0.61) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL9828039 0.93 SMN1; SMN2 (0.68) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL9829676 0.90 HTT (0.71) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL9831932 0.83 HTT (0.75) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL6375805 0.79 SMN1; SMN2 (0.57) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL19242796 0.78 HTT (0.68) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL19242797 0.78 HTT (0.68) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL13067102 0.77 SMN1; SMN2 (0.66) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL2472385 0.76 OPRM1 (0.54) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL3866449 0.76 SMN1; SMN2 (0.60) SMN1; SMN2HTTLMNANPSR1L3MBTL1

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-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed