SCHEMBL8553873

SCHEMBL8553873

O=S(=O)(O)CCNCC(CO)(CO)CO

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.34
PTGS1 P23219 1/20 0.32
PDE4A P27815 1/20 0.32
LMNA P02545 1/20 0.32
SLC6A6 P31641 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
APP P05067 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
SCHEMBL9653601 0.88 APP (0.37) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL11141014 0.77
SCHEMBL2861805 0.77 PTGS1 (0.35) CYP2D6PTGS1PDE4ALMNASLC6A6
SCHEMBL1805336 0.75 PTGS1 (0.45) CYP2D6PTGS1PDE4ALMNASLC6A6
SCHEMBL21064437 0.74 PTGS1 (0.32) CYP2D6PTGS1PDE4ALMNASLC6A6
SCHEMBL901982 0.74
SCHEMBL30026428 0.73 PTGS1 (0.43) CYP2D6PTGS1PDE4ALMNASLC6A6
SCHEMBL186081 0.72 LMNA (0.38) CYP2D6PTGS1PDE4ALMNASLC6A6
SCHEMBL10893705 0.71 GSR (0.32)
SCHEMBL19705810 0.70 LMNA (0.36) CYP2D6PTGS1PDE4ALMNASLC6A6

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 7 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
US-4368287-A POLYESTER CONTAINING AMINO-SULFONIC AMPHOIONIC GROUP NIPPON PAINT CO., LTD. (JP) 1983-01-11 US disclosed
US-4328143-A Aqueous coating composition NIPPON PAINT COMPANY, LTD. (JP) 1982-05-04 US disclosed
US-4322324-A Ampho-ionic group-containing alkyd resins NIPPON PAINT CO., LTD. (JP) 1982-03-30 US disclosed