SCHEMBL7112366

SCHEMBL7112366

CC(C=O)CC=Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.61
PAM P19021 1/20 0.46
GRIK1 P39086 2/20 0.45
GRIK2 Q13002 2/20 0.45
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 2/20 0.42
TRPA1 O75762 1/20 0.42
LMNA P02545 1/20 0.42
ALOX5 P09917 1/20 0.42
IDO1 P14902 2/20 0.41
CTSC P53634 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL12124955 1.00 HTR2A (0.61) HTR2APAMGRIK1GRIK2ALDH1A1
SCHEMBL6435302 0.81 HTR2A (0.61) HTR2APAMGRIK1GRIK2ALDH1A1
SCHEMBL6435300 0.81 HTR2A (0.61) HTR2APAMGRIK1GRIK2ALDH1A1
SCHEMBL107851 0.79 HTR2A (0.70) HTR2APAMGRIK1GRIK2IDO1
SCHEMBL107852 0.79 HTR2A (0.70) HTR2APAMGRIK1GRIK2IDO1
SCHEMBL2170349 0.79 HTR2A (0.70) HTR2APAMGRIK1GRIK2IDO1
SCHEMBL14037582 0.79 HTR2A (0.70) HTR2APAMGRIK1GRIK2IDO1
SCHEMBL27898427 0.77 HTR2A (0.52) HTR2APAMGRIK1GRIK2ALDH1A1
SCHEMBL13944311 0.77 HTR2A (0.51) HTR2APAMGRIK1GRIK2ALDH1A1
SCHEMBL8493509 0.76 HTR2A (0.44) HTR2APAMALDH1A1MAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0794218-B1 Polycarbonate resin composition stabilized against radiation MITSUBISHI ENG PLASTICS CORP (JP) 2003-10-15 EP disclosed
US-6040367-A EXCELLENT RESISTANCE TO AN IONIZING RADIATION, IN WHICH HETEROCYCLIC COMPOUND CONTAINING OXYMETHYLENE UNITS MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2000-03-21 US disclosed
US-5948838-A 0.01 TO 5 PARTS BY WEIGHT OF A COMPOUND CONTAINING OXYMETHYLENE UNIT MITSUBISHI ENGINEERING-PLASTICS CORP. (JP) 1999-09-07 US disclosed
EP-0794218-A2 Polycarbonate resin composition stabilized against radiation MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 1997-09-10 EP disclosed