SCHEMBL28905920

SCHEMBL28905920

CCCCC(O)(C(=O)O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.51
▸ HDAC3 O15379 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ NCOR2 Q9Y618 1/20 0.47
▸ POLB P06746 1/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ GAA P10253 1/20 0.43
▸ KIF11 P52732 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ SCN5A Q14524 3/20 0.42
▸ SCN9A Q15858 3/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ SLC13A5 Q86YT5 1/20 0.41
▸ KMT2A Q03164 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
SCHEMBL2517312 0.92 KIF11 (0.48) L3MBTL1SMN1; SMN2GAAKIF11MAPT
SCHEMBL1275973 0.86 SCN5A (0.52) L3MBTL1GAAKIF11SCN5ASCN9A
SCHEMBL8667621 0.85 SCN5A (0.55) GAAKIF11SCN5ASCN9ACHRM2
SCHEMBL29211112 0.85 SCN5A (0.55) GAAKIF11SCN5ASCN9ACHRM2
SCHEMBL29211136 0.85 SCN5A (0.55) GAAKIF11SCN5ASCN9ACHRM2
SCHEMBL12315579 0.85 SCN5A (0.55) GAAKIF11SCN5ASCN9ACHRM2
SCHEMBL10357746 0.85 SCN5A (0.55) GAAKIF11SCN5ASCN9ACHRM2
SCHEMBL7916110 0.85 SCN5A (0.55) GAAKIF11SCN5ASCN9ACHRM2
SCHEMBL8669195 0.85 SCN5A (0.55) GAAKIF11SCN5ASCN9ACHRM2
SCHEMBL5155798 0.85 SCN5A (0.55) GAAKIF11SCN5ASCN9ACHRM2

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-115108901-A Synthetic method of alpha-hydroxycarboxylic acid compound 四川大学 2022-09-27 — — CN disclosed
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