SCHEMBL9814332

SCHEMBL9814332

CCCCCCCCCCCC1=[N+](CC)CCN1CCO.CCOS(=O)(=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
EPHX2 P34913 1/20 0.35
BLM P54132 1/20 0.35
FUT7 Q11130 1/20 0.32
EEF2K O00418 1/20 0.31

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
SCHEMBL9646016 1.00 RECQL (0.35) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4246966 0.94 FAAH (0.32) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4246959 0.94 FAAH (0.32) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4236375 0.88
SCHEMBL326011 0.86 RECQL (0.37) RECQLGLAHPGDTSHRMAPK1
SCHEMBL16887393 0.85 EEF2K (0.39) TSHREEF2K
SCHEMBL16887396 0.85 EEF2K (0.39) TSHREEF2K
SCHEMBL9814340 0.82 RECQL (0.34) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4246963 0.81 FAAH (0.31) RECQLGLAHPGDTSHRMAPK1
SCHEMBL16887389 0.78 MGLL (0.35) EEF2K

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-0442965-A1 TOLUENE SULFONATE SALTS OF 2-ALKYL IMIDAZOLINES PPG INDUSTRIES, INC. (US) 1991-08-28 EP disclosed
US-5011937-A Internal and external antistatic agents for fibers PPG INDUSTRIES, INC. (US) 1991-04-30 US disclosed
US-4973616-A ANTISTATIC AGENTS FOR SYNTHETIC FIBERS AND PLASTICS PPG INDUSTRIES, INC. (US) 1990-11-27 US disclosed
WO-1990005724-A1 TOLUENE SULFONATE SALTS OF 2-ALKYL IMIDAZOLINES PPG INDUSTRIES, INC. (US) 1990-05-31 WO disclosed