SCHEMBL29385263

SCHEMBL29385263

O=C(O)Cc1cccc(OS(=O)(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.54
PTGDR2 Q9Y5Y4 7/20 0.50
AKR1B1 P15121 1/20 0.47
PPARD Q03181 1/20 0.46
FFAR1 O14842 1/20 0.46
PLA2G4B P0C869 1/20 0.45
CTBP2 P56545 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS1 P23219 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 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
SCHEMBL25215347 1.00 CA5A (0.54) CA5APTGDR2AKR1B1PPARDFFAR1
SCHEMBL4465269 0.84 PTGDR2 (0.48) CA5APTGDR2AKR1B1PPARDFFAR1
SCHEMBL17164599 0.84 FFAR1 (0.52) AKR1B1PPARDFFAR1
SCHEMBL14015380 0.81 KMT2A (0.44)
SCHEMBL14825001 0.81 AKR1B1 (0.52) PTGDR2AKR1B1PPARDFFAR1PLA2G4B
SCHEMBL14432229 0.81 TSHR (0.46)
SCHEMBL16238445 0.79 MAPK1 (0.46)
SCHEMBL7898011 0.79 CA5A (0.55) CA5AAKR1B1FFAR1PLA2G4BPTGS1
SCHEMBL9664445 0.78 CA1 (0.60)
SCHEMBL229067 0.77 PTGS1 (0.67) PTGDR2CTBP2CYP1A2PTGS1AKR1C3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113341009-B Early diagnosis urine biomarker for Guangzhou pipe-line nematode disease and application thereof 海南医学院 2023-09-08 CN claimed
CN-114026427-A Marker for diagnosing renal disease and diagnostic method 深圳市中医院 2022-02-08 CN claimed
CN-114026427-B Marker for diagnosing kidney disease and diagnostic method 深圳市中医院 2023-11-17 CN disclosed
CN-113341009-B Early diagnosis urine biomarker for Guangzhou pipe-line nematode disease and application thereof 海南医学院 2023-09-08 CN disclosed
CN-113341009-B Early diagnosis urine biomarker for Guangzhou pipe-line nematode disease and application thereof 海南医学院 2023-09-08 CN disclosed
CN-114026427-A Marker for diagnosing renal disease and diagnostic method 深圳市中医院 2022-02-08 CN disclosed