SCHEMBL9575643

SCHEMBL9575643

CC(CN)S(=O)(=O)[O-].CCCCCCCC/C=C\CCCCCCCCC[N+](O)(O)CC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.39
SOAT1 P35610 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARA Q07869 1/20 0.38
FABP3 P05413 5/20 0.38
EPHX2 P34913 1/20 0.38
ENPP2 Q13822 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL11287562 0.80 FAAH (0.48) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL6551720 0.80 FAAH (0.48) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL9575935 0.80 FAAH (0.48) FAAHSOAT1MEN1TP53CYP1A2
Glycine SCHEMBL9575923 0.79 FABP3 (0.54) FAAHSOAT1MEN1TP53CYP1A2
Formic Acid SCHEMBL9794870 0.78 FAAH (0.50) FAAHSOAT1MEN1TP53CYP1A2
Hydrochloric Acid SCHEMBL28769371 0.78 FAAH (0.47) FAAHSOAT1MEN1TP53CYP1A2
Hydrochloric Acid SCHEMBL9575644 0.78 FAAH (0.47) FAAHSOAT1MEN1TP53CYP1A2
Sulfuric Acid SCHEMBL27512251 0.78 DNM1 (0.44) TP53CYP3A4KMT2A
Glycine SCHEMBL10338990 0.77 PPARG (0.53) FAAHCYP1A2CYP3A4CYP2C19KMT2A
Cysteine SCHEMBL9575898 0.75 FABP3 (0.43) FAAHSOAT1MEN1TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0371406-B1 OXYALKYLATED QUATERNARY AMMONIUM COMPOUNDS, PROCESSES FOR PRODUCTION THEREOF, AND PLANT GROWTH REGULATING COMPOSITIONS CONTAINING SAID COMPOUNDS DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 1993-08-04 EP disclosed
US-5076828-A Immersing seeds into quaternary solution prior to planting DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 1991-12-31 US disclosed
EP-0371406-A1 Oxyalkylated quaternary ammonium compounds, processes for production thereof, and plant growth regulating compositions containing said compounds DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 1990-06-06 EP disclosed