SCHEMBL6310749

SCHEMBL6310749

CCOS(=O)(=O)[O-].C[N+](OCCO)(OCCO)OCCO

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
EPHX2 P34913 1/20 0.36
BLM P54132 1/20 0.36
ALDH1A1 P00352 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL589357 0.82 POLB (0.33) TSHR
Sulfuric Acid SCHEMBL5039820 0.82 MEN1 (0.35) TSHRALDH1A1
Sulfuric Acid SCHEMBL27564936 0.78 ALDH1A1 (0.31) TSHRMAPK1ALDH1A1
Tetramethylammonium Ion SCHEMBL26929089 0.77 CA1 (0.43) RECQLGLAHPGDTSHRMAPK1
2-Ethoxyethanol SCHEMBL9580680 0.77 ALDH1A1 (0.56) RECQLGLAHPGDTSHRMAPK1
Choline SCHEMBL8221622 0.77 MEN1 (0.46) RECQLGLAHPGDTSHRMAPK1
2-Methoxyethanol SCHEMBL9159003 0.77 RECQL (0.42) RECQLGLAHPGDTSHRMAPK1
SCHEMBL6310746 0.77 RECQL (0.34) RECQLGLAHPGDTSHRMAPK1
SCHEMBL2921295 0.77 DNM1 (0.41) RECQLGLAHPGDTSHRMAPK1
SCHEMBL638342 0.74 TSHR (0.39) TSHRMAPK1ALDH1A1

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
US-20050003983-A1 Complex salt for anti-spotting detergents KIM DONG GYU (KR) 2005-01-06 US disclosed
WO-2004024860-A1 COMPLEX SALT FOR ANTI-SPOTTING DETERGENTS CJ CORPORATION (KR) 2004-03-25 WO disclosed
US-20040048764-A1 Complex salt for anti-spotting detergents CJ CORP. (KR) 2004-03-11 US disclosed