SCHEMBL464892

SCHEMBL464892

CCCCCCCCCCCCCC(C)(N)OS(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
ABCB1 P08183 4/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
PSIP1 O75475 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ABCC1 P33527 3/20 0.36
S1PR1 P21453 1/20 0.36
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35

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
SCHEMBL28412955 0.84 TDP1 (0.41) CA12CA1CA2CA4CA5A
SCHEMBL2057427 0.75 ABCB1 (0.43) CA12CA1CA2CA4CA5A
SCHEMBL3434446 0.75 CA12 (0.38) CA12CA1CA2CA4CA5A
SCHEMBL11466361 0.75 TSHR (0.48) CA12CA9TDP1TSHRPSIP1
SCHEMBL16045484 0.74 PSIP1 (0.42) CA12CA1CA2CA4CA5A
SCHEMBL8717206 0.73 PPARA (0.40) TDP1ABCB1ALDH1A1TSHRRECQL
SCHEMBL28846602 0.73 ALDH1A1 (0.43) CA12CA1CA2CA4CA5A
SCHEMBL7154403 0.73 ALDH1A1 (0.38) CA12CA1CA2CA4CA5A
SCHEMBL14964673 0.73 TSHR (0.50) TDP1TSHRPSIP1S1PR1
SCHEMBL16046048 0.72 PSIP1 (0.43) CA12CA1CA2CA4CA5A

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414769-A4 WATER-RESISTANT GYPSUM FORMULATIONS BORDEN CHEM INC (US) 2009-09-02 EP claimed
EP-1414769-A1 WATER-RESISTANT GYPSUM FORMULATIONS BORDEN CHEMICAL, INC. (US) 2004-05-06 EP claimed
US-6663707-B2 Waterproof slurries of calcium sulfate dihydrate and emulsions comprising waxes, phenols, group I hydroxides, water and starches having storage stability BORDEN CHEMICAL, INC. 2003-12-16 US claimed
US-20030131763-A1 Water-resistant gypsum formulations BORDEN CHEMICAL, INC. (US) 2003-07-17 US claimed
US-6585820-B2 Waxes, complexed starch, alkylphenol and lignosulfate salt or trisodium phosphate; economical; storage stable; room temper-ature pourable; no bactericide required; no separation or curdling on addition to hot or boiling water FLEET CAPITAL CORPORATION 2003-07-01 US claimed
US-20030084825-A1 Water-resistant gypsum formulations HEXION INC. (FORMERLY KNOWN AS MOMENTIVE SPECIALTY CHEMICALS INC.) 2003-05-08 US claimed
WO-2003004433-A1 WATER-RESISTANT GYPSUM FORMULATIONS BORDEN CHEMICAL, INC. (US) 2003-01-16 WO claimed
EP-1549723-B1 ADDITIVES FOR WATER-RESISTANT GYPSUM PRODUCTS MOMENTIVE SPECIALTY CHEMICALS RES BELGIUM SA (BE) 2011-11-30 EP disclosed
EP-1414769-A4 WATER-RESISTANT GYPSUM FORMULATIONS BORDEN CHEM INC (US) 2009-09-02 EP disclosed
US-7473713-B2 Additives for water-resistant gypsum products HEXION SPECIALTY CHEMICALS, INC. (US) 2009-01-06 US disclosed
US-7473712-B2 Wax; C24-C34 polymerized methylene-coupled alkylphenol; alkali metal polynaphthalenesulfonate; water; and a starch complexed with e.g., a borate or a molybdenum compound; lignocellulosic composite fiber or particle board that is dimensionally stable when exposed to moisture HEXION SPECIALTY CHEMICALS, INC. (US) 2009-01-06 US disclosed
US-7294189-B2 Wax emulsion preservative compositions and method of manufacture HEXION SPECIALTY CHEMICALS, INC. (US) 2007-11-13 US disclosed
EP-1549723-A4 ADDITIVES FOR WATER-RESISTANT GYPSUM PRODUCTS HEXION SPECIALTY CHEMICALS INC (US) 2007-09-19 EP disclosed
EP-1414769-A1 WATER-RESISTANT GYPSUM FORMULATIONS BORDEN CHEMICAL, INC. (US) 2004-05-06 EP disclosed
WO-2004033581-A1 ADDITIVES FOR WATER-RESISTANT GYPSUM PRODUCTS BORDEN CHEMICAL, INC. (US) 2004-04-22 WO disclosed
US-6663707-B2 Waterproof slurries of calcium sulfate dihydrate and emulsions comprising waxes, phenols, group I hydroxides, water and starches having storage stability BORDEN CHEMICAL, INC. 2003-12-16 US disclosed
US-20030131763-A1 Water-resistant gypsum formulations BORDEN CHEMICAL, INC. (US) 2003-07-17 US disclosed
US-6585820-B2 Waxes, complexed starch, alkylphenol and lignosulfate salt or trisodium phosphate; economical; storage stable; room temper-ature pourable; no bactericide required; no separation or curdling on addition to hot or boiling water FLEET CAPITAL CORPORATION 2003-07-01 US disclosed
US-20030084825-A1 Water-resistant gypsum formulations HEXION INC. (FORMERLY KNOWN AS MOMENTIVE SPECIALTY CHEMICALS INC.) 2003-05-08 US disclosed
WO-2003004433-A1 WATER-RESISTANT GYPSUM FORMULATIONS BORDEN CHEMICAL, INC. (US) 2003-01-16 WO disclosed