SCHEMBL29080606

SCHEMBL29080606

O=C1c2ccccc2C(=O)C1(O)O.[Cr]

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 13/20 0.94
CA2 P00918 13/20 0.94
CA7 P43166 13/20 0.94
CA9 Q16790 13/20 0.94
ALDH1A1 P00352 5/20 0.94
L3MBTL1 Q9Y468 3/20 0.94
ALOX12 P18054 2/20 0.94
RECQL P46063 2/20 0.94
EHMT2 Q96KQ7 2/20 0.94
TSHR P16473 1/20 0.94
MAPK1 P28482 1/20 0.94
CASP1 P29466 1/20 0.94
BACE1 P56817 1/20 0.94
CA4 P22748 3/20 0.52
MAPT P10636 4/20 0.48
APAF1 O14727 2/20 0.48
TDP2 O95551 2/20 0.48
NSD2 O96028 2/20 0.48
BLM P54132 2/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL29350272 0.97 CA1 (1.00) CA1CA2CA7CA9ALDH1A1
SCHEMBL17986 0.97 CA1 (1.00) CA1CA2CA7CA9ALDH1A1
SCHEMBL3658029 0.97 CA1 (1.00) CA1CA2CA7CA9ALDH1A1
SCHEMBL4930794 0.94 CA1 (0.94) CA1CA2CA7CA9ALDH1A1
Water SCHEMBL592691 0.94 CA1 (0.94) CA1CA2CA7CA9ALDH1A1
Ammonia Solution, Strong SCHEMBL1286269 0.94 CA1 (0.94) CA1CA2CA7CA9ALDH1A1
SCHEMBL3938478 0.94 CA1 (0.94) CA1CA2CA7CA9ALDH1A1
SCHEMBL4921601 0.94 CA1 (0.94) CA1CA2CA7CA9ALDH1A1
Hydrochloric Acid SCHEMBL28516500 0.94 CA1 (0.94) CA1CA2CA7CA9ALDH1A1
Methyl Alcohol SCHEMBL3930226 0.92 CA1 (0.90) CA1CA2CA7CA9ALDH1A1

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-114540263-B Construction method of high Wen Suotai-resistant enzyme in bacillus subtilis and application of high Wen Suotai-resistant enzyme in low-bitter plant oligopeptide 江南大学 2023-08-25 CN disclosed
CN-114540263-A Construction method of high-temperature-resistant carboxypeptidase in bacillus subtilis and application of high-temperature-resistant carboxypeptidase in low-bitter-taste plant oligopeptide 江南大学 2022-05-27 CN disclosed