Sugi Predict

Sugi Predict / Compounds / SCHEMBL4566748

SCHEMBL4566748

SCHEMBL4566748

C=C(C)C(=O)OCCS(=O)(=O)O.C=Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.54
▸ POLB P06746 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ TSHR P16473 3/20 0.34
▸ CA2 P00918 2/20 0.32
▸ CA1 P00915 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.31
▸ TAS1R1 Q7RTX1 1/20 0.31
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30

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
SCHEMBL6985652 0.88 TDP1 (0.55) TDP1POLBAPEX1HTTTHRB
SCHEMBL9312827 0.88 TDP1 (0.49) TDP1POLBAPEX1HTTTHRB
Styrene SCHEMBL9010621 0.87 TDP1 (0.39) TDP1POLBAPEX1HTTTHRB
Water SCHEMBL19406075 0.85 TDP1 (0.43) TDP1POLBAPEX1HTTTSHR
SCHEMBL4566749 0.81 TDP1 (0.39) TDP1POLBAPEX1HTTTHRB
SCHEMBL21248289 0.81 TDP1 (0.64) TDP1TSHRMCL1TAS1R3TAS1R1
Styrene SCHEMBL7037322 0.81 TSHR (0.46) TDP1POLBAPEX1HTTTHRB
Vinylsulfonic Acid SCHEMBL9776595 0.80 THRB (0.44) TDP1POLBAPEX1HTTTHRB
SCHEMBL434886 0.80 THRB (0.50) TDP1POLBAPEX1HTTTHRB
Ammonia Solution, Strong SCHEMBL9188708 0.80 TDP1 (0.38) TDP1POLBAPEX1HTTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8858961-B2 Compositions containing alpha-2-adrenergic agonist components ALLERGAN, INC. (US) 2014-10-14 — — US disclosed
US-20090312337-A1 COMPOSITIONS CONTAINING ALPHA-2-ADRENERGIC AGONIST COMPONENTS ALLERGAN, INC. (US) 2009-12-17 — — US disclosed
EP-1654002-A2 COMPOSITIONS FOR DELIVERY OF THERAPEUTICS INTO THE EYES AND METHODS FOR MAKING AND USING THE SAME Allergan, Inc. (US) 2006-05-10 — — EP disclosed
EP-1605912-A2 PRESERVED OPHTHALMIC COMPOSITIONS Allergan, Inc. (US) 2005-12-21 — — EP disclosed
WO-2005032577-A1 USE OF CYCLOSPORIN COMPONENTS IN OPHTALMIC CONDITIONS ALLERGAN, INC. (US) 2005-04-14 — — WO disclosed
WO-2005014046-A2 COMPOSITIONS FOR DELIVERY OF THERAPEUTICS INTO THE EYES AND METHODS FOR MAKING AND USING THE SAME ALLERGAN, INC. (US) 2005-02-17 — — WO disclosed
WO-2004087098-A2 PRESERVED OPHTHALMIC COMPOSITIONS ALLERGAN, INC. (US) 2004-10-14 — — WO disclosed
EP-1390073-A2 COMPOSITIONS HAVING ENHANCED PHARMACOKINETIC CHARACTERISTICS Allergan, Inc. (US) 2004-02-25 — — EP disclosed
WO-2003051332-A1 OPHTHALMIC COMPOSITIONS COMPRISING TWO DIFFERENT POLYANIONIC COMPONENTS FOR LUBRICATING EYES AND METHODS FOR MAKING AND USING SAME ALLERGAN, INC. (US) 2003-06-26 — — WO disclosed
WO-2002089853-A2 COMPOSITIONS HAVING ENHANCED PHARMACOKINETIC CHARACTERISTICS ALLERGAN, INC. (US) 2002-11-14 — — WO disclosed
EP-0835142-A1 COMPOSITIONS AND METHODS FOR DISINFECTING A CONTACT LENS AND DETECTING THE PRESENCE OF AN OXIDATIVE DISINFECTANT Allergan (US) 1998-04-15 — — EP disclosed
WO-1998005365-A2 COMPOSITIONS AND METHODS FOR DISINFECTING CONTACT LENSES AND PRESERVING CONTACT LENS CARE PRODUCTS ALLERGAN SALES, INC. (US) 1998-02-12 — — WO disclosed
WO-1997002053-A1 COMPOSITIONS AND METHODS FOR DISINFECTING A CONTACT LENS AND DETECTING THE PRESENCE OF AN OXIDATIVE DISINFECTANT ALLERGAN (US) 1997-01-23 — — WO disclosed