SCHEMBL10749335

SCHEMBL10749335

CC(O)COC(=O)NCCO

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.53
CHRNB4 P30926 2/20 0.53
CHRNA3 P32297 2/20 0.53
CHRNA4 P43681 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
KMT2A Q03164 1/20 0.43
ACHE P22303 10/20 0.43
ALOX15 P16050 1/20 0.40
LMNA P02545 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
SCHEMBL763280 0.86 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL604897 0.86 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL9681841 0.84 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL6287763 0.81 ACHE (0.63) MAPTACHEALOX15
SCHEMBL15249135 0.80 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL8373589 0.79 MAPT (0.40) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL5247558 0.79 SMN1; SMN2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL13681838 0.79 SMN1; SMN2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL19356087 0.78 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL14606100 0.77 ALOX15 (0.41) MAPTALDH1A1ACHEALOX15LMNA

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-0233253-A1 CARBAMATE COATING COMPOSITIONS UNION CARBIDE CORPORATION (US) 1987-08-26 EP disclosed
WO-1987000851-A1 CARBAMATE COATING COMPOSITIONS UNION CARBIDE CORPORATION (US) 1987-02-12 WO disclosed
US-4251636-A AND ELASTOMERS WHICH ARE BUBBLE-FREE TEXACO DEVELOPMENT CORPORATION (US) 1981-02-17 US disclosed