SCHEMBL8895244

SCHEMBL8895244

[O]CCNC(=O)OCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
HTT P42858 1/20 0.69
TGM2 P21980 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.58
KEAP1 Q14145 2/20 0.58
NFE2L2 Q16236 2/20 0.58
MAPT P10636 1/20 0.57
SLC1A3 P43003 1/20 0.56
SLC1A1 P43005 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
KAT2B Q92831 1/20 0.52
GAA P10253 1/20 0.52
IDO1 P14902 1/20 0.52
TDO2 P48775 1/20 0.52

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
SCHEMBL13055383 0.91 LMNA (0.80) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL6447301 0.88 HTT (0.72) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL707687 0.88 LMNA (0.71) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL18254066 0.87 HTT (0.81) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL15346534 0.86 HTT (0.79) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL9874334 0.86 HTT (0.79) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL9340146 0.86 HTT (0.79) LMNASMN1; SMN2HTTTGM2L3MBTL1
Benzyl Phenethylcarbamate SCHEMBL4287199 0.86 LMNA (0.73) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL375858 0.86 LMNA (0.73) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL5019074 0.86 LMNA (0.73) LMNASMN1; SMN2HTTTGM2L3MBTL1

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
US-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed
EP-0618222-A2 Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid CIBA-GEIGY AG (CH) 1994-10-05 EP disclosed
US-4461761-A IMMUNO-REGULATORS AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (ANVAR) (FR) 1984-07-24 US disclosed