SCHEMBL9828039

SCHEMBL9828039

O=C(O)CCCCNC(=O)C1(c2ccccc2)CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.68
HTT P42858 2/20 0.68
LMNA P02545 3/20 0.58
NPSR1 Q6W5P4 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HDAC4 P56524 2/20 0.57
OPRL1 P41146 1/20 0.55
ERCC1 P07992 1/20 0.54
ERCC4 Q92889 1/20 0.54
TSHR P16473 1/20 0.53
CHRM2 P08172 1/20 0.52
HRH3 Q9Y5N1 1/20 0.50
AKR1C1 Q04828 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
HDAC1 Q13547 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL9829676 0.94 HTT (0.71) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL9829282 0.93 SMN1; SMN2 (0.60) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL9831308 0.88 SMN1; SMN2 (0.61) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL9831932 0.88 HTT (0.75) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL13067102 0.85 SMN1; SMN2 (0.66) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL14491525 0.83 SMN1; SMN2 (0.68) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL19242797 0.83 HTT (0.68) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL19242796 0.83 HTT (0.68) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL11640416 0.81 SMN1; SMN2 (0.68) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL9829124 0.81 SMN1; SMN2 (0.68) 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