SCHEMBL28498656

SCHEMBL28498656

O=C1CCCCC12c1ccccc1-c1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.45
GRIN2A Q12879 3/20 0.45
SLC6A4 P31645 2/20 0.45
GRIN2D O15399 2/20 0.45
GRIN3B O60391 2/20 0.45
GRIN2B Q13224 2/20 0.45
GRIN2C Q14957 2/20 0.45
GRIN3A Q8TCU5 2/20 0.45
OPRK1 P41145 1/20 0.45
LMNA P02545 1/20 0.45
OPRM1 P35372 1/20 0.45
CACNA1C Q13936 1/20 0.45
S100A4 P26447 1/20 0.37
KMT2A Q03164 1/20 0.36
ITGA4 P13612 1/20 0.35
PDE7A Q13946 1/20 0.35
KDM1A O60341 1/20 0.35
PGR P06401 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL6077160 0.77 AKR1B1 (0.46) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL1944655 0.76 MEN1 (0.45) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL3545440 0.76 GRIN1 (0.37) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL15656775 0.74 HDAC4 (0.44) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL15659683 0.74 HDAC4 (0.44) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL13541879 0.73 AKR1B1 (0.40) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL24615635 0.71 BCL2 (0.37) GRIN1GRIN2ASLC6A4OPRK1KMT2A
SCHEMBL7254124 0.70 ALDH1A1 (0.43) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL11057716 0.70 GRIN1 (0.47) GRIN1GRIN2AGRIN2BS100A4KMT2A
SCHEMBL3666780 0.69 MEN1 (0.47) OPRK1OPRM1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111961038-B Compound, organic electroluminescent device and electronic device 陕西莱特光电材料股份有限公司 2021-10-08 CN claimed
CN-111961038-B Compound, organic electroluminescent device and electronic device 陕西莱特光电材料股份有限公司 2021-10-08 CN disclosed
CN-111961038-A Compound, organic electroluminescent device and electronic device 陕西莱特光电材料股份有限公司 2020-11-20 CN disclosed