SCHEMBL7414036

SCHEMBL7414036

O=C(O)CC1C(=O)CCC(CCNC(=O)OCc2ccccc2)=CC1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.41
IDO1 P14902 2/20 0.40
TDO2 P48775 1/20 0.39
TGM2 P21980 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
KEAP1 Q14145 2/20 0.38
NFE2L2 Q16236 2/20 0.38
CASP1 P29466 2/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KAT2B Q92831 1/20 0.37
CPB1 P15086 1/20 0.37

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
SCHEMBL7418067 0.83 LMNA (0.49) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL7416005 0.77 HTT (0.44) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL7422019 0.74 LMNA (0.53) HTTLMNASMN1; SMN2MEN1KMT2A
Benzyl Phenethylcarbamate SCHEMBL4287199 0.69 LMNA (0.73) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL13055383 0.68 LMNA (0.80) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL5019074 0.67 LMNA (0.73) HTTLMNASMN1; SMN2MEN1KMT2A
Benzyl Phenethylcarbamate SCHEMBL6392045 0.66 LMNA (0.67) HTTLMNASMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL4506331 0.66 LMNA (0.71) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL127662 0.66 HTT (0.82) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL1051884 0.66 LMNA (0.71) HTTLMNASMN1; SMN2MEN1KMT2A

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