SCHEMBL30781902

SCHEMBL30781902

COc1ccccc1C(CC(=O)O)CC(=O)O

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.73
▸ HTT P42858 1/20 0.73
▸ NPSR1 Q6W5P4 1/20 0.73
▸ L3MBTL1 Q9Y468 1/20 0.73
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ LMNA P02545 1/20 0.50
▸ KMT2A Q03164 2/20 0.47
▸ CTSA P10619 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ GABBR2 O75899 1/20 0.46
▸ GABBR1 Q9UBS5 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ PTGFR P43088 3/20 0.45

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
SCHEMBL18150761 1.00 POLB (0.73) POLBHTTNPSR1L3MBTL1SMN1; SMN2
SCHEMBL18151385 0.92 POLB (0.63) POLBHTTNPSR1L3MBTL1SMN1; SMN2
SCHEMBL17755320 0.91 POLB (0.62) POLBHTTNPSR1L3MBTL1SMN1; SMN2
SCHEMBL14576778 0.91 POLB (0.62) POLBHTTNPSR1L3MBTL1SMN1; SMN2
SCHEMBL21632146 0.90 POLB (0.60) POLBHTTNPSR1L3MBTL1SMN1; SMN2
SCHEMBL18151306 0.88 POLB (0.58) POLBHTTNPSR1L3MBTL1SMN1; SMN2
SCHEMBL8128981 0.85 POLB (0.55) POLBHTTNPSR1L3MBTL1SMN1; SMN2
SCHEMBL8045583 0.85 NPSR1 (0.55) POLBHTTNPSR1L3MBTL1SMN1; SMN2
SCHEMBL8049606 0.85 NPSR1 (0.55) POLBHTTNPSR1L3MBTL1SMN1; SMN2
SCHEMBL8045579 0.85 NPSR1 (0.55) POLBHTTNPSR1L3MBTL1SMN1; SMN2

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-117550943-A Based on CO 2 Method for participating in controllable synthesis of polycarboxylic acid compounds 四川大学 2024-02-13 — — CN disclosed
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