SCHEMBL8553870

SCHEMBL8553870

O=S(=O)(O)CCNC(CO)(CO)CCO

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
PTGS1 P23219 1/20 0.30
PDE4A P27815 1/20 0.30
LMNA P02545 1/20 0.30
SLC6A6 P31641 1/20 0.30
CYP2C19 P33261 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL3836599 0.92 PTGS1 (0.32) CYP2D6PTGS1PDE4ALMNASLC6A6
SCHEMBL5054581 0.89 APP (0.34)
SCHEMBL16561479 0.89 CYP2D6 (0.31) CYP2D6
SCHEMBL1078938 0.87 PTGS1 (0.35) CYP2D6PTGS1PDE4ALMNASLC6A6
SCHEMBL35763 0.87 PTGS1 (0.35) CYP2D6PTGS1PDE4ALMNASLC6A6
SCHEMBL23242898 0.85 PTGS1 (0.33) CYP2D6PTGS1PDE4ALMNASLC6A6
SCHEMBL29538945 0.85 CYP2D6 (0.35) CYP2D6PTGS1PDE4ALMNASLC6A6
Water SCHEMBL8593341 0.83 PTGS1 (0.32) CYP2D6PTGS1PDE4ALMNASLC6A6
SCHEMBL8744652 0.80 APP (0.37) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL11237901 0.78 EPHX2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0879233-A1 CHINOLINE AND BENZIMIDAZOLE DERIVATIVES AS BRADYKININ AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-25 EP disclosed
WO-1997028153-A1 CHINOLINE AND BENZIMIDAZOLE DERIVATIVES AS BRADYKININ AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-07 WO disclosed
EP-0596074-A1 IMPROVED WASH TECHNIQUE FOR IMMUNOASSAY EASTMAN KODAK COMPANY (US) 1994-05-11 EP disclosed
WO-1993022679-A1 IMPROVED WASH TECHNIQUE FOR IMMUNOASSAY EASTMAN KODAK COMPANY (US) 1993-11-11 WO disclosed