SCHEMBL31085334

SCHEMBL31085334

COC(=O)C1CCOC(C)(C)C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.54
ALOX15 P16050 1/20 0.47
ALDH1A1 P00352 4/20 0.46
TP53 P04637 2/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
GLA P06280 1/20 0.35
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL22645249 0.81 POLB (0.39) POLBALOX15ALDH1A1TP53SMN1; SMN2
SCHEMBL15448321 0.81 POLB (0.50) POLBALOX15ALDH1A1TP53PKM
SCHEMBL14276813 0.80 POLB (0.56) POLBALOX15ALDH1A1TP53PKM
SCHEMBL322744 0.79 POLB (0.54) POLBALOX15ALDH1A1TP53SMN1; SMN2
SCHEMBL353235 0.78 POLB (0.54) POLBALOX15ALDH1A1TP53PKM
SCHEMBL28270957 0.77 POLB (0.35) POLBALOX15ALDH1A1TP53SMN1; SMN2
SCHEMBL19119509 0.77 POLB (0.53) POLBALOX15ALDH1A1TP53PKM
SCHEMBL4730994 0.77 POLB (0.53) POLBALOX15ALDH1A1TP53PKM
SCHEMBL27153061 0.76 POLB (0.46) POLBALOX15ALDH1A1TP53PKM
SCHEMBL15125182 0.74 POLB (0.50) POLBALOX15ALDH1A1TP53PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112689507-B Amino acid compounds having unbranched linkers and methods of use thereof 普利安特治疗公司 2024-07-30 CN disclosed