SCHEMBL9829124

SCHEMBL9829124

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

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.68
HTT P42858 2/20 0.68
LMNA P02545 3/20 0.66
NPSR1 Q6W5P4 2/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
HDAC4 P56524 2/20 0.66
ERCC1 P07992 1/20 0.60
ERCC4 Q92889 1/20 0.60
TSHR P16473 1/20 0.59
AKR1C1 Q04828 1/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
ALDH1A1 P00352 1/20 0.51
HDAC1 Q13547 2/20 0.51
CHRM2 P08172 1/20 0.51
P2RX7 Q99572 1/20 0.50

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
SCHEMBL14067363 0.84 SMN1; SMN2 (0.68) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL5346968 0.83 ERCC1 (0.75) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL9831932 0.83 HTT (0.75) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL9828039 0.81 SMN1; SMN2 (0.68) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL9829676 0.80 HTT (0.71) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL9829254 0.80 SMN1; SMN2 (0.58) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL16132896 0.80 HDAC4 (1.00) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL17502816 0.80 HDAC4 (1.00) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL12378818 0.79 SMN1; SMN2 (0.56) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL20060916 0.79 SMN1; SMN2 (0.65) 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