SCHEMBL5158628

SCHEMBL5158628

C=C(CCC(C)C)C(=O)OC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.41
EPHX1 P07099 4/20 0.40
HTT P42858 2/20 0.36
CYP19A1 P11511 2/20 0.36
CYP2C19 P33261 1/20 0.35
CA1 P00915 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
MMP2 P08253 1/20 0.33
MMP8 P22894 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL29010448 0.91 NAAA (0.42) NAAAEPHX1HTTCYP19A1CYP2C19
SCHEMBL1401825 0.89 NAAA (0.41) NAAAEPHX1HTTCYP19A1CYP2C19
SCHEMBL22129339 0.85 NAAA (0.37) NAAAEPHX1HTTCYP19A1CYP2C19
SCHEMBL2340701 0.83 EPHX1 (0.42) NAAAEPHX1HTTCYP19A1CYP2C19
SCHEMBL2090330 0.81 NAAA (0.51) NAAAEPHX1HTTCYP19A1CYP2C19
SCHEMBL29117582 0.81 NAAA (0.51) NAAAEPHX1HTTCYP19A1CYP2C19
SCHEMBL585907 0.80 NAAA (0.57) NAAAEPHX1HTTCYP19A1CYP2C19
SCHEMBL632277 0.80 NAAA (0.50) NAAAEPHX1HTTCYP19A1CYP2C19
SCHEMBL4007907 0.79 NAAA (0.40) NAAAEPHX1HTTCYP19A1CYP2C19
SCHEMBL9009690 0.79 NAAA (0.57) NAAAEPHX1HTTCYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991698-B1 SILICONE OLIGOMERS AND CURABLE COMPOSITIONS CONTAINING SAME MOMENTIVE PERFORMANCE MAT INC (US) 2012-10-24 EP disclosed
US-7268246-B2 Preparation and use of reactive organosilicon compounds E.I. DU PONT DE NEMOURS AND COMPANY (US) 2007-09-11 US disclosed
EP-1740666-A1 PREPARATION AND USE OF REACTIVE ORGANOSILICON COMPOUNDS E.I.Du pont de nemours and company (US) 2007-01-10 EP disclosed
US-20060128920-A1 Preparation and use of reactive organosilicon compounds E. I. DU PONT DE NEMOURS AND COMPANY 2006-06-15 US disclosed
EP-1606250-A1 IMPROVED SCRATCH AND MAR RESISTANT LOW VOC COATING COMPOSITION E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-12-21 EP disclosed
WO-2005105939-A1 PREPARATION AND USE OF REACTIVE ORGANOSILICON COMPOUNDS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-11-10 WO disclosed
US-20050186349-A1 Scratch and mar resistant low VOC coating composition LOPER SCOTT W (US) 2005-08-25 US disclosed
EP-1473320-A2 Coatings that contain monomeric or polymeric melamines with attached functional silane groups E. I. du Pont de Nemours and Company (US) 2004-11-03 EP disclosed
US-20040214017-A1 as a curing agent in a mixture of a film-forming reactive organosilane polymer, a volatile organic liquid carrier, a polymer microparticle dispersion, and an organic polyol; spraying, curing; automobile clear coats having reduced viscosity, higher spray solids and lower volatile organic content E. I. DU PONT DE NEMOURS AND COMPANY 2004-10-28 US disclosed
WO-2004083178-A1 IMPROVED SCRATCH AND MAR RESISTANT LOW VOC COATING COMPOSITION E.I. DUPONT DE NEMOURS AND COMPANY (US) 2004-09-30 WO disclosed
US-6379807-B1 ACRYLOSILANE COPOLYMER FILM FORMING BINDER; CLEAR COATS FOR AUTOMOBILES; ANTISOILANTS; POLYISOCYANATE AND MELAMINE CROSSLINKING AGENT E. I. DU PONT DE NEMOURS AND COMPANY 2002-04-30 US disclosed
US-6323277-B1 USFUL AS COUPLING AGENTS IN CURABLE FILLED ORGANIC POLYMERS USED FOR WIRE AND CABLE INSULATION WITCO CORPORATION 2001-11-27 US disclosed
US-6268456-B1 FILMS WITH REACTIVE SILYL GROUPS E. I. DU PONT DE NEMOURS AND COMPANY 2001-07-31 US disclosed
US-6258914-B1 POLYSILOXANES C. K. WITCO CORPORATION 2001-07-10 US disclosed
US-6140445-A ALKOXY SILANE OLIGOMERS WHICH HAVE A NON-HYDROLYZABLE CARBON BRIDGED BOND TO ANOTHER SILANE FUNCTIONALITY CROMPTON CORPORATION (US) 2000-10-31 US disclosed
EP-0991698-A1 SILICONE OLIGOMERS AND CURABLE COMPOSITIONS CONTAINING SAME CK WITCO CORPORATION (US) 2000-04-12 EP disclosed
EP-0830434-B1 COATING COMPOSITION CONTAINING SILANE FUNCTIONALITY DU PONT (US) 1999-12-01 EP disclosed
WO-1999054386-A1 SILICONE OLIGOMERS AND CURABLE COMPOSITIONS CONTAINING SAME WITCO CORPORATION (US) 1999-10-28 WO disclosed
EP-0830434-A1 COATING COMPOSITION CONTAINING SILANE FUNCTIONALITY E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-03-25 EP disclosed
WO-1996039468-A1 COATING COMPOSITION CONTAINING SILANE FUNCTIONALITY E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-12-12 WO disclosed