SCHEMBL9577759

SCHEMBL9577759

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
EPHX2 P34913 1/20 0.33
BLM P54132 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL29551501 0.87
SCHEMBL11287773 0.84 RECQL (0.39) RECQLGLAHPGDTSHRMAPK1
Sulfuric Acid SCHEMBL30089500 0.83 TP53 (0.36) RECQLTSHRBLM
Tetrylammonium SCHEMBL717357 0.83 TSHR (0.40) RECQLGLAHPGDTSHRMAPK1
SCHEMBL10382859 0.83 BBOX1 (0.44) RECQLGLAHPGDTSHRMAPK1
SCHEMBL10383194 0.83 RECQL (0.32) RECQLGLAHPGDTSHRMAPK1
SCHEMBL2921295 0.82 DNM1 (0.41) RECQLGLAHPGDTSHRMAPK1
Choline SCHEMBL8221622 0.82 MEN1 (0.46) RECQLGLAHPGDTSHRMAPK1
SCHEMBL6310746 0.82 RECQL (0.34) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4368365 0.81 RECQL (0.46) RECQLGLAHPGDTSHRMAPK1

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
US-5227091-A Polyether, quaternary ammonium salt mixture PPG INDUSTRIES, INC. (US) 1993-07-13 US disclosed