SCHEMBL6407707

SCHEMBL6407707

O=C(OCCO)c1cccc([Na])c1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
TSHR P16473 6/20 0.38
TDP1 Q9NUW8 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TP53 P04637 2/20 0.36
CYP3A4 P08684 2/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
SLC7A5 Q01650 1/20 0.34
HSD17B10 Q99714 3/20 0.33
NPC1 O15118 2/20 0.33
HPGD P15428 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GLA P06280 1/20 0.33
HIF1A Q16665 1/20 0.33
PFKFB3 Q16875 1/20 0.33

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
SCHEMBL1234665 0.89 ALDH1A1 (0.44) ALDH1A1TSHRTDP1L3MBTL1TP53
SCHEMBL8900535 0.84 SERPINE1 (0.33) ALDH1A1TSHRTDP1L3MBTL1HSD17B10
SCHEMBL2116927 0.84 ALOX15 (0.41) ALDH1A1TSHRTDP1L3MBTL1TP53
SCHEMBL11035395 0.82 TSHR (0.45) ALDH1A1TSHRTDP1L3MBTL1TP53
SCHEMBL6415587 0.78 CA1 (0.46) ALDH1A1TSHRL3MBTL1LMNAHSD17B10
SCHEMBL29540297 0.78 ALDH1A1 (0.55) ALDH1A1TSHRTDP1L3MBTL1TP53
SCHEMBL27318264 0.77 TSHR (0.44) ALDH1A1TSHRTDP1L3MBTL1TP53
SCHEMBL483848 0.77 ALDH1A1 (0.38) ALDH1A1TSHRTDP1L3MBTL1SLC7A5
SCHEMBL5178170 0.75 ALDH1A1 (0.47) ALDH1A1TSHRTDP1L3MBTL1TP53
Glycerin SCHEMBL7022615 0.75 ALOX15 (0.41) ALDH1A1TSHRL3MBTL1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5599782-A LOW MOLECULAR WEIGHT POLYESTER ANTISOILANTS THE PROCTER & GAMBLE COMPANY (US) 1997-02-04 US claimed
EP-0547106-B1 IMPROVED SOIL RELEASE AGENTS FOR GRANULAR LAUNDRY DETERGENTS PROCTER & GAMBLE (US) 1995-12-27 EP claimed
EP-0547106-A1 IMPROVED SOIL RELEASE AGENTS FOR GRANULAR LAUNDRY DETERGENTS. PROCTER & GAMBLE (US) 1993-06-23 EP claimed
WO-1992004433-A1 IMPROVED SOIL RELEASE AGENTS FOR GRANULAR LAUNDRY DETERGENTS THE PROCTER & GAMBLE COMPANY (US) 1992-03-19 WO claimed
US-20050130862-A1 Copolyesteramides and the use thereof as a soil release agent RHODIA CHIMIE (FR) 2005-06-16 US disclosed
EP-1233994-A2 COMPOSITION FOR CLEANING CARPETS, CURTAINS AND COVERING FABRICS AND/OR FOR FACILITATING THE REMOVAL OF STAINS Rhodia, Inc. (US) 2002-08-28 EP disclosed
WO-2001038467-A2 COMPOSITION FOR CLEANING CARPETS, CURTAINS AND COVERING FABRICS AND/OR FOR FACILITATING THE REMOVAL OF STAINS RHODIA, INC. (US) 2001-05-31 WO disclosed
US-5599782-A LOW MOLECULAR WEIGHT POLYESTER ANTISOILANTS THE PROCTER & GAMBLE COMPANY (US) 1997-02-04 US disclosed
EP-0547106-B1 IMPROVED SOIL RELEASE AGENTS FOR GRANULAR LAUNDRY DETERGENTS PROCTER & GAMBLE (US) 1995-12-27 EP disclosed