SCHEMBL13636240

SCHEMBL13636240

C=C(C)C(=O)C(=C)CCS(=O)(=O)O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL7019166 0.83 PTGS1 (0.32) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL536402 0.77 PTGS1 (0.35) PTGS1PDE4ALMNASLC6A6CYP2C19
Potassium SCHEMBL9347201 0.76 PTGS1 (0.33) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL9513534 0.76 PTGS1 (0.33) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL165516 0.75 PTGS1 (0.36) PTGS1PDE4ALMNASLC6A6CYP2C19
Methacrylic Acid SCHEMBL1881169 0.74 APEX1 (0.46) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL2178186 0.74
Potassium Ion SCHEMBL5053936 0.73 PTGS1 (0.35) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL9574731 0.73 PTGS1 (0.35) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL999988 0.73 LMNA (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1767600-B1 Ink composition, ink jet recording method, method for producing planographic printing plate and planographic printing plate FUJIFILM CORP (JP) 2009-11-18 EP disclosed