SCHEMBL27774530

SCHEMBL27774530

O=C(O)[C@H](O)C1(c2ccccc2)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.50
AKR1C1 Q04828 1/20 0.48
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD11B1 P28845 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL290754 1.00 HDAC4 (0.50) HDAC4AKR1C1SLC6A2SLC6A4SLC6A3
SCHEMBL1953126 0.98 AKR1C1 (0.50) HDAC4AKR1C1SLC6A2SLC6A4SLC6A3
SCHEMBL1612406 0.82 HDAC4 (0.47) HDAC4AKR1C1SLC6A2SLC6A4SLC6A3
SCHEMBL13222778 0.80 SLC6A2 (0.49) HDAC4AKR1C1SLC6A2SLC6A4SLC6A3
SCHEMBL27296884 0.80 HDAC4 (0.46) HDAC4AKR1C1SLC6A2SLC6A4SLC6A3
SCHEMBL290573 0.79 OPRM1 (0.46) HDAC4SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL14899045 0.78 AKR1C1 (0.48) HDAC4AKR1C1SLC6A2SLC6A4SLC6A3
SCHEMBL8655542 0.77 SLC6A4 (0.54) HDAC4AKR1C1SLC6A2SLC6A4SLC6A3
SCHEMBL28776197 0.76 SLC6A4 (0.50) HDAC4AKR1C1SLC6A2SLC6A4SLC6A3
SCHEMBL6669439 0.76 HDAC4 (0.49) HDAC4AKR1C1SLC6A2SLC6A4SLC6A3

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-101663263-A Solid forms comprising (-) -O-desmethylvenlafaxine and uses thereof SEPRACOR INC 2010-03-03 CN disclosed