SCHEMBL28078255

SCHEMBL28078255

COc1ccccc1[C@@H]1C=CCCCCC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
DRD2 P14416 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL16398156 1.00 HTR2C (0.47) HTR2CMEN1KMT2ADRD2L3MBTL1
SCHEMBL28078288 0.98 HTR2C (0.49) HTR2CMEN1KMT2ADRD2L3MBTL1
SCHEMBL17747330 0.98 HTR2C (0.49) HTR2CMEN1KMT2ADRD2L3MBTL1
SCHEMBL18312709 0.94 HTR2C (0.50) HTR2CMEN1KMT2ADRD2L3MBTL1
SCHEMBL1050248 0.94 HTR2C (0.50) HTR2CMEN1KMT2ADRD2L3MBTL1
SCHEMBL17747344 0.87 HTR2C (0.53) HTR2CMEN1KMT2ADRD2L3MBTL1
SCHEMBL16398448 0.87 HTR2C (0.53) HTR2CMEN1KMT2ADRD2L3MBTL1
SCHEMBL30938438 0.78 HTR2C (0.68) HTR2CMEN1KMT2ADRD2
SCHEMBL6695552 0.78 HTR2C (0.68) HTR2CMEN1KMT2ADRD2
SCHEMBL4736528 0.78 HTR2C (0.68) HTR2CMEN1KMT2ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105658656-A 1, 1' -spiroindane-7, 7-bisphosphine oxides as highly active supporting ligands in palladium-catalyzed asymmetric Heck reactions 南洋理工大学 2016-06-08 CN disclosed