SCHEMBL2659946

SCHEMBL2659946

C=CCOC(=O)SC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
TSHR P16473 2/20 0.37
MAPT P10636 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.32
SNCA P37840 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
APP P05067 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
SCHEMBL9435890 0.88 CYP3A4 (0.48) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL9435882 0.80 CYP3A4 (0.38) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL15519303 0.77 CYP3A4 (0.40) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL8650930 0.74
SCHEMBL14719798 0.74
SCHEMBL6429741 0.74
SCHEMBL15519306 0.74 CYP3A4 (0.37) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL3257965 0.73 CYP3A4 (0.39) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL9929 0.72
SCHEMBL16360618 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5290519-A Cardiovascular disorders DIAGNOSTIC MARKERS, INC. (US) 1994-03-01 US claimed
US-5227307-A Binding metals to thiol groups of tissue proteins DIAGNOSTIC MARKERS, INC. (US) 1993-07-13 US claimed
US-4219605-A Process for flameproofing synthetic fibre material and product CIBA-GEIGY CORPORATION (US) 1980-08-26 US claimed
EP-1349856-B1 ISOINDOLIN-1-ONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2005-06-15 EP disclosed
US-6869453-B1 Reactive dye compounds NORTH CAROLINA STATE UNIVERSITY (US) 2005-03-22 US disclosed
US-6723834-B1 NITROGEN-CONTAINING HETEROCYCLE IS SUBSTITUTED WITH A HYDRATED FROM OF A REDUCING SUGAR SUCH AS SUCROSE AND GLUCOSE; IMPROVED DYE-BATH EXHAUSTION AND DYE-FIBER COVALENT FIXATION; CELLULOSIC, KERATIN, HAIR, WOOL AND SILK NORTH CAROLINA STATE UNIVERSITY 2004-04-20 US disclosed
US-6716969-B1 Reactive dye compounds NORTH CAROLINA STATE UNIVERSITY 2004-04-06 US disclosed
US-6713613-B1 Reactive dye compounds NORTH CAROLINA STATE UNIVERSITY 2004-03-30 US disclosed
EP-1179033-B1 REACTIVE DYE COMPOUNDS UNIV NORTH CAROLINA STATE (US) 2004-03-03 EP disclosed
EP-1349856-A2 ISOINDOLIN-1-ONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-08 EP disclosed
EP-1066345-B1 REACTIVE DYE COMPOUNDS PROCTER & GAMBLE (US) 2003-03-12 EP disclosed
WO-2000069973-A1 REACTIVE DYE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2000-11-23 WO disclosed
WO-2000069974-A1 REACTIVE DYE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2000-11-23 WO disclosed
WO-1999051686-A1 REACTIVE DYE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1999-10-14 WO disclosed
WO-1999051684-A1 REACTIVE DYE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1999-10-14 WO disclosed
WO-1999051683-A1 REACTIVE DYE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1999-10-14 WO disclosed
WO-1999051685-A1 REACTIVE DYE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1999-10-14 WO disclosed
EP-0080919-A1 Lubricant composition used in a high-pressure ethylene polymerisation process Société Chimique des Charbonnages (FR) 1983-06-08 EP disclosed
US-4219605-A Process for flameproofing synthetic fibre material and product CIBA-GEIGY CORPORATION (US) 1980-08-26 US disclosed
US-4007211-A OXIDATIVE DECARBOXYLATION WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1977-02-08 US disclosed