SCHEMBL28629916

SCHEMBL28629916

O=C(O)Cc1cccc(OS)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.52
PTGDR2 Q9Y5Y4 5/20 0.50
PPARD Q03181 1/20 0.49
FFAR1 O14842 1/20 0.49
PLA2G4B P0C869 1/20 0.48
CYP1A2 P05177 2/20 0.47
CTBP2 P56545 1/20 0.46
CYP2C19 P33261 1/20 0.45
PTGS1 P23219 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
KDM4E B2RXH2 1/20 0.44
RGS12 O14924 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL29085766 0.82 FFAR1 (0.56) PPARDFFAR1TDP1
SCHEMBL30278809 0.81 PLA2G4B (0.62) AKR1B1PPARDFFAR1PLA2G4BCYP4F2
SCHEMBL5576932 0.81 AKR1B1 (0.52) AKR1B1PTGDR2PPARDFFAR1PLA2G4B
SCHEMBL229067 0.81 PTGS1 (0.67) PTGDR2CYP1A2CTBP2PTGS1AKR1C3
SCHEMBL415441 0.81 FFAR1 (0.68) AKR1B1PTGDR2FFAR1AKR1C3TDP1
SCHEMBL25081992 0.81 PLA2G4B (0.62) AKR1B1PPARDFFAR1PLA2G4BCYP4F2
SCHEMBL29824310 0.81 PTGS1 (0.67) PTGDR2CYP1A2CTBP2PTGS1AKR1C3
SCHEMBL14825001 0.81 AKR1B1 (0.52) AKR1B1PTGDR2PPARDFFAR1PLA2G4B
SCHEMBL3977902 0.80 AKR1B1 (0.50) AKR1B1PTGDR2PPARDFFAR1PLA2G4B
SCHEMBL8218805 0.80 CTBP2 (0.65) PTGDR2CYP1A2CTBP2PTGS1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114026427-A Marker for diagnosing renal disease and diagnostic method 深圳市中医院 2022-02-08 CN claimed
CN-113341009-A Urine biomarker for early diagnosis of angiostrongylus cantonensis disease, screening method and application 海南医学院 2021-09-03 CN claimed
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
CN-113341009-A Urine biomarker for early diagnosis of angiostrongylus cantonensis disease, screening method and application 海南医学院 2021-09-03 CN disclosed