SCHEMBL669527

SCHEMBL669527

COc1cccc([C@](CCN(C)C)(OS(=O)(=O)c2ccc(C)cc2)C(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.38
POLB P06746 3/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRK1 P41145 1/20 0.34
CYP24A1 Q07973 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL669656 0.85 HTR2A (0.36) ALDH1A1
SCHEMBL14974352 0.82 LMNA (0.39) HTR6POLBMAPTTP53ALDH1A1
SCHEMBL669526 0.82 LMNA (0.39) HTR6POLBMAPTTP53ALDH1A1
SCHEMBL669770 0.82 LMNA (0.39) HTR6POLBMAPTTP53ALDH1A1
SCHEMBL14775635 0.75 ALDH1A1 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL14974802 0.72 HTR2A (0.34) POLBMAPTALDH1A1PKMMEN1
SCHEMBL670046 0.70 ALDH1A1 (0.45) ALDH1A1
SCHEMBL669922 0.70 ALDH1A1 (0.45) ALDH1A1
SCHEMBL670608 0.70 ALDH1A1 (0.45) ALDH1A1
Hydrochloric Acid SCHEMBL16742846 0.69 SMN1; SMN2 (0.44) ALDH1A1

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-2606030-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL Indoco Remedies Limited (IN) 2013-06-26 EP claimed
WO-2012023147-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL INDOCO REMEDIES LIMITED (IN) 2012-02-23 WO claimed
EP-2606030-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL Indoco Remedies Limited (IN) 2013-06-26 EP disclosed
WO-2012023147-A1 PROCESS FOR THE PREPARATION OF TAPENTADOL INDOCO REMEDIES LIMITED (IN) 2012-02-23 WO disclosed