SCHEMBL4950484

SCHEMBL4950484

CC(C)CC(C=O)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SLC6A2 P23975 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
MAOA P21397 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
CYP2A6 P11509 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
CTSB P07858 1/20 0.45
EPHX1 P07099 1/20 0.44
ANPEP P15144 1/20 0.43
RNPEP Q9H4A4 1/20 0.43
DNPEP Q9ULA0 1/20 0.43
SLC18A2 Q05940 1/20 0.42
CYP2D6 P10635 1/20 0.42
CTSK P43235 1/20 0.42
MME P08473 1/20 0.42

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
SCHEMBL29249333 0.86 PTGS1 (0.43) MEN1KMT2AEPHX1
SCHEMBL7266299 0.83 EPHX1 (0.54) TAAR1MEN1KMT2ASLC6A2SIGMAR1
SCHEMBL7318327 0.83 TAAR1 (0.49) TAAR1MEN1KMT2ASLC6A2SIGMAR1
SCHEMBL1774298 0.80 TAAR1 (0.48) TAAR1MEN1KMT2ASLC6A2SIGMAR1
SCHEMBL28282850 0.78 EPHX1 (0.42) TAAR1MEN1KMT2ASLC6A2SIGMAR1
SCHEMBL7321758 0.78 TAAR1 (0.44) TAAR1MEN1KMT2ACTSBANPEP
SCHEMBL1546515 0.77 TAAR1 (0.46) TAAR1MEN1KMT2ASLC6A2SIGMAR1
SCHEMBL27749511 0.77 TAAR1 (0.46) TAAR1MEN1KMT2ASLC6A2SIGMAR1
SCHEMBL11626226 0.77 KDM4E (0.44) TAAR1MEN1KMT2AEPHX1
SCHEMBL19812667 0.76 EPHX1 (0.47) TAAR1MEN1KMT2ASLC6A2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0874796-A1 IMPROVED METAL-LIGAND COMPLEX CATALYZED PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-11-04 EP disclosed
EP-0874797-A1 PROCESSES EMPLOYING INDICATOR LIGANDS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-11-04 EP disclosed
EP-0865418-A1 IMPROVED METAL-LIGAND COMPLEX CATALYZED PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-09-23 EP disclosed
EP-0862549-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE CARBOXYLIC ACIDS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-09-09 EP disclosed
EP-0781166-A1 MEMBRANE SEPARATION PROCESS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-07-02 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-1997020799-A1 IMPROVED METAL-LIGAND COMPLEX CATALYZED PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-06-12 WO disclosed
WO-1997020798-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-1997020792-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-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-1997016473-A1 POLYESTERS AND PROCESSES FOR PREPARING SAME UNION CARBIDE CHEMICALS AND 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