SCHEMBL7100700

SCHEMBL7100700

CCC/C(=C(/C)C(=O)O)N(S(C)(=O)=O)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
THRB P10828 1/20 0.36
PGGT1B P53609 1/20 0.36
FFAR3 O14843 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
CES2 O00748 1/20 0.31
CES1 P23141 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
SCHEMBL5162996 0.84 FFAR3 (0.31) FNTAFNTBTHRBPGGT1BFFAR3
SCHEMBL5162989 0.84 FFAR3 (0.31) FNTAFNTBTHRBPGGT1BFFAR3
SCHEMBL4787319 0.83 CES2 (0.30) CES2CES1
SCHEMBL112390 0.75 FNTA (0.41) FNTAFNTBTHRBPGGT1BFFAR3
SCHEMBL1932859 0.75 FNTA (0.41) FNTAFNTBTHRBPGGT1BFFAR3
SCHEMBL3278030 0.74 FNTA (0.37) FNTAFNTBTHRBPGGT1BFFAR3
Ammonia Solution, Strong SCHEMBL6453054 0.74 FNTA (0.39) FNTAFNTBTHRBPGGT1BFFAR3
SCHEMBL634778 0.74 FNTA (0.39) FNTAFNTBTHRBPGGT1BFFAR3
SCHEMBL2770803 0.74 FNTA (0.39) FNTAFNTBTHRBPGGT1BFFAR3
SCHEMBL8977562 0.72 CA12 (0.40) FNTAFNTBTHRBPGGT1BFFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280960-A1 CELLULOSE PRODUCTS COMPRISING SILICATE AND PROCESSES FOR PREPARING THE SAME Hercules Incorporated (US) 2003-02-05 EP disclosed
WO-2001044573-A1 CELLULOSE PRODUCTS COMPRISING SILICATE AND PROCESSES FOR PREPARING THE SAME HERCULES INCORPORATED (US) 2001-06-21 WO disclosed