SCHEMBL3466869

SCHEMBL3466869

CC(C)CC(C)(C=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
GRIN2D O15399 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
OPRM1 P35372 2/20 0.35
CACNA1F O60840 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
SCHEMBL8491492 0.80 MAPT (0.35) CYP2C19HIF1ATAAR1SMN1; SMN2ESR1
SCHEMBL28194983 0.80 GAA (0.38) CYP2C19HIF1ATP53TSHRTAAR1
SCHEMBL1774301 0.78 CYP2C19 (0.41) CYP2C19HIF1ATAAR1SMN1; SMN2ESR1
SCHEMBL27634244 0.76 CYP2C19 (0.39) CYP2C19HIF1ATSHRTAAR1GAA
SCHEMBL230116 0.76 POLB (0.42) CYP2C19HIF1ATAAR1ESR1ESR2
SCHEMBL341054 0.76 CYP2C19 (0.44) CYP2C19HIF1ATSHRTAAR1SMN1; SMN2
SCHEMBL28285750 0.74 TAAR1 (0.47) CYP2C19HIF1ATAAR1SMN1; SMN2ESR1
SCHEMBL1546508 0.74 NR3C2 (0.39) CYP2C19HIF1ATSHRTAAR1ESR1
SCHEMBL3634192 0.74 CYP2C19 (0.43) CYP2C19HIF1ATP53TSHRTAAR1
SCHEMBL4710826 0.73 ALDH1A1 (0.50) CYP2C19HIF1ATSHRTAAR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160172188-A1 RINSE SOLUTION FOR SILICA THIN FILM, METHOD OF PRODUCING SILICA THIN FILM, AND SILICA THIN FILM SAMSUNG SDI CO., LTD. (KR) 2016-06-16 US claimed
WO-2010070659-A2 A NOVEL HETEROGENEOUS CATALYST FOR THE PREPARATION OF ARYLACETALDEHYDES SHASUN CHEMICALS AND DRUGS LIMITED (IN) 2010-06-24 WO claimed
CN-105695165-A RINSE SOLUTION FOR SILICA THIN FILM, METHOD OF PRODUCING SILICA THIN FILM, AND SILICA THIN FILM 三星SDI株式会社 2016-06-22 CN disclosed
US-20160172188-A1 RINSE SOLUTION FOR SILICA THIN FILM, METHOD OF PRODUCING SILICA THIN FILM, AND SILICA THIN FILM SAMSUNG SDI CO., LTD. (KR) 2016-06-16 US disclosed
WO-2010070659-A3 A NOVEL HETEROGENEOUS CATALYST FOR THE PREPARATION OF ARYLACETALDEHYDES SHASUN CHEMICALS AND DRUGS LIMITED (IN) 2012-08-30 WO disclosed
WO-2010070659-A2 A NOVEL HETEROGENEOUS CATALYST FOR THE PREPARATION OF ARYLACETALDEHYDES SHASUN CHEMICALS AND DRUGS LIMITED (IN) 2010-06-24 WO disclosed
WO-2010070659-A2 A NOVEL HETEROGENEOUS CATALYST FOR THE PREPARATION OF ARYLACETALDEHYDES SHASUN CHEMICALS AND DRUGS LIMITED (IN) 2010-06-24 WO disclosed
WO-2008074717-A2 PROCESS FOR THE PREPARATION OF CHIRAL 2-ARYLPROPANOLS HAVING A PROFEN-LIKE SUBSTITUTED ARYL RESIDUE ALMA MATER STUDIORUM - UNIVERSITA DI BOLOGNA (IT) 2008-06-26 WO disclosed
EP-1019352-A1 IMPROVED METAL-LIGAND COMPLEX CATALYZED PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2000-07-19 EP disclosed
EP-0876321-A1 IMPROVED METAL-LIGAND COMPLEX CATALYZED PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-11-11 EP disclosed
EP-0876322-A1 IMPROVED METAL-LIGAND COMPLEX CATALYZED PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-11-11 EP disclosed
WO-1997020794-A1 IMPROVED METAL-LIGAND COMPLEX CATALYZED PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-06-12 WO disclosed
WO-1997020800-A1 IMPROVED METAL-LIGAND COMPLEX CATALYZED PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-06-12 WO disclosed
WO-1997020797-A1 IMPROVED METAL-LIGAND COMPLEX CATALYZED PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-06-12 WO disclosed
WO-1997020799-A1 IMPROVED METAL-LIGAND COMPLEX CATALYZED PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-06-12 WO disclosed
WO-1997016466-A1 POLYURETHANE (METH)ACRYLATES AND PROCESSES FOR PREPARING SAME UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-05-09 WO disclosed
WO-1997016473-A1 POLYESTERS AND PROCESSES FOR PREPARING SAME UNION CARBIDE CHEMICALS AND PLASTICS TECHNOLOGY CORPORATION (US) 1997-05-09 WO disclosed
WO-1997016401-A1 REACTION MIXTURES CONTAINING SUBSTITUTED HYDROCARBON DIOLS AND PROCESSES FOR THE PREPARATION THEREOF UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-05-09 WO disclosed
WO-1997014669-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE CARBOXYLIC ACIDS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-04-24 WO disclosed
WO-1996034687-A1 MEMBRANE SEPARATION PROCESS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1996-11-07 WO disclosed