SCHEMBL29182292

SCHEMBL29182292

CON(C)C(=O)c1ccc(OC(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.54
HPGD P15428 3/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GPR119 Q8TDV5 1/20 0.41
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ELANE P08246 2/20 0.38
FABP2 P12104 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
KMT2A Q03164 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
SCHEMBL4654242 0.85 MLYCD (0.60) MLYCDHPGDALDH1A1SMN1; SMN2GPR119
SCHEMBL15496635 0.84 ALDH1A1 (0.66) HPGDALDH1A1SMN1; SMN2GPR119ELANE
SCHEMBL2713062 0.82 MLYCD (0.61) MLYCDHPGDALDH1A1SMN1; SMN2GPR119
SCHEMBL286256 0.82 CES2 (0.57) MLYCDHPGDALDH1A1SMN1; SMN2CLK1
SCHEMBL2713890 0.81 MLYCD (0.56) MLYCDHPGDALDH1A1SMN1; SMN2CLK1
SCHEMBL2647559 0.79 MLYCD (0.66) MLYCDALDH1A1HTTMEN1KMT2A
SCHEMBL4469822 0.78 MLYCD (0.49) MLYCDHPGDALDH1A1SMN1; SMN2GPR119
SCHEMBL19533698 0.76 SMN1; SMN2 (0.59) MLYCDHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL28974715 0.76 MLYCD (0.50) MLYCDHPGDALDH1A1SMN1; SMN2CLK1
SCHEMBL1303906 0.76 MLYCD (0.57) MLYCDHPGDALDH1A1SMN1; SMN2HTT

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
CN-114751882-B Synthesis method of benzofuran 南京工业大学 2024-02-23 CN disclosed
CN-114751882-A Synthetic method of benzofuran 南京工业大学 2022-07-15 CN disclosed