SCHEMBL7803583

SCHEMBL7803583

O=S(=O)(O)CC[N+](CCO)(CCO)CCO

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.38
PDE4A P27815 1/20 0.38
LMNA P02545 1/20 0.38
SLC6A6 P31641 1/20 0.38
CYP2C19 P33261 1/20 0.38
BLM P54132 1/20 0.38
APP P05067 1/20 0.35

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
SCHEMBL5144675 0.90 PTGS1 (0.35) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL11244311 0.85 APP (0.42) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL11879878 0.84 SLC22A1 (0.48)
SCHEMBL742185 0.83 APP (0.41) PTGS1PDE4ALMNASLC6A6CYP2C19
Sulfuric Acid SCHEMBL28011483 0.83 CA5A (0.40) LMNA
SCHEMBL13133622 0.76
SCHEMBL3505295 0.75 DNM1 (0.41) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL10256776 0.75 LMNA (0.36) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL9785036 0.75 SLC22A1 (0.48)
SCHEMBL28026525 0.74 PTGS1 (0.38) PTGS1PDE4ALMNASLC6A6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6210896-B1 POLYMER ANALYSIS BY EXPOSING UNITS TO ELECTROMAGNETIC RADIATION, A QUENCHER SOURCE, OR FLUORESCENCE EXCITATION BY USING MOLECULAR MOTOR TO MOVE POLYMER RELATIVE TO AGENT, THEN DETECTING SIGNALS; SEQUENCING NUCLEIC ACIDS US GENOMICS 2001-04-03 US disclosed
US-4328143-A Aqueous coating composition NIPPON PAINT COMPANY, LTD. (JP) 1982-05-04 US disclosed