SCHEMBL28759072

SCHEMBL28759072

COc1cccc(C(Cl)Br)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.52
AOC3 Q16853 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
CASR P41180 3/20 0.45
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
TAAR1 Q96RJ0 2/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41

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
SCHEMBL7681682 0.83 AOC3 (0.50) ACHEAOC3L3MBTL1CA1CA2
SCHEMBL1742768 0.83 AOC3 (0.50) ACHEAOC3L3MBTL1CA1CA2
SCHEMBL5263393 0.83 AOC3 (0.50) ACHEAOC3L3MBTL1CA1CA2
SCHEMBL1588867 0.82 CASR (0.50) ACHEAOC3L3MBTL1CA1CA2
SCHEMBL30722441 0.82 CASR (0.50) ACHEAOC3L3MBTL1CA1CA2
SCHEMBL6204864 0.82 L3MBTL1 (0.51) ACHEAOC3L3MBTL1CA1CA2
SCHEMBL4431450 0.82 CASR (0.50) ACHEAOC3L3MBTL1CA1CA2
SCHEMBL11563492 0.80 AOC3 (0.50) ACHEAOC3L3MBTL1CA1CA2
SCHEMBL6204866 0.80 AOC3 (0.56) ACHEAOC3L3MBTL1CA1CA2
SCHEMBL11021614 0.80 AOC3 (0.50) ACHEAOC3L3MBTL1CA1CA2

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-112473396-B Anion exchange membrane material for diffusion dialysis acid recovery and preparation method thereof 西安建筑科技大学 2022-06-24 CN disclosed