SCHEMBL7418067

SCHEMBL7418067

O=C(NCCC1=CC(Cc2ccccc2)C(=O)CC1)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 1/20 0.47
IDO1 P14902 2/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.43
TDO2 P48775 1/20 0.43
TGM2 P21980 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
KEAP1 Q14145 2/20 0.42
NFE2L2 Q16236 2/20 0.42
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KAT2B Q92831 1/20 0.41

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
SCHEMBL7414036 0.83 HTT (0.45) LMNASMN1; SMN2HTTIDO1MEN1
SCHEMBL7416005 0.82 HTT (0.44) LMNASMN1; SMN2HTTIDO1MEN1
SCHEMBL7422019 0.76 LMNA (0.53) LMNASMN1; SMN2HTTIDO1MEN1
SCHEMBL7418063 0.74 ATM (0.50) LMNAMEN1KMT2AALDH1A1
Benzyl Phenethylcarbamate SCHEMBL4287199 0.74 LMNA (0.73) LMNASMN1; SMN2HTTIDO1MEN1
SCHEMBL13055383 0.72 LMNA (0.80) LMNASMN1; SMN2HTTIDO1MEN1
Benzyl Phenethylcarbamate SCHEMBL6392045 0.70 LMNA (0.67) LMNASMN1; SMN2HTTIDO1MEN1
SCHEMBL1051884 0.70 LMNA (0.71) LMNASMN1; SMN2HTTIDO1MEN1
SCHEMBL18254066 0.70 HTT (0.81) LMNASMN1; SMN2HTTKMT2ATGM2
SCHEMBL6554125 0.69 LMNA (0.65) LMNASMN1; SMN2HTTIDO1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5438118-A Peptide mimics having constrained peptide backbone SMITHKLINE BEECHMAN CORP. (US) 1995-08-01 US disclosed
WO-1992009297-A1 HIV PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1992-06-11 WO disclosed