SCHEMBL29129673

SCHEMBL29129673

[CH2]C(C)CCOC(=O)C(C)CC

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.33
CHRNA4 P43681 5/20 0.33
CHRNB4 P30926 3/20 0.33
CHRNA3 P32297 3/20 0.33
ALOX15 P16050 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL28956590 0.88 CA12 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3CA1
SCHEMBL891188 0.83 CA12 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CA1
SCHEMBL8954891 0.83 CA12 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CA1
SCHEMBL13667079 0.82 ALDH1A1 (0.37) ALOX15CA1CA2
SCHEMBL10044202 0.81 TSHR (0.38) CHRNB2CHRNA4CHRNB4CHRNA3ALOX15
SCHEMBL14064893 0.79 GABRR1 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3CA2
SCHEMBL16682457 0.79 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL805664 0.78 HCAR2 (0.40) CA1CA2
SCHEMBL805650 0.78 HCAR2 (0.40) CA1CA2
SCHEMBL17617139 0.78 HCAR2 (0.40) CA1CA2

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-117250568-A Plant magnetic field intensity detector 哈力·喀甫 2023-12-19 CN disclosed