SCHEMBL7824844

SCHEMBL7824844

CCOC(=O)C1CN(C)c2cccc(C)c2O1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
NISCH Q9Y2I1 1/20 0.44
ALDH1A1 P00352 8/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SIRT1 Q96EB6 2/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36

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
SCHEMBL3196270 0.88 POLB (0.43) POLBALDH1A1KMT2AMEN1TDP1
SCHEMBL7821955 0.84 TDP1 (0.56) POLBALDH1A1KMT2AMEN1TDP1
SCHEMBL7820037 0.83 POLB (0.53) POLBALDH1A1KMT2AMEN1MAPT
SCHEMBL7831090 0.81 NISCH (0.46) POLBNISCHALDH1A1KMT2AMEN1
SCHEMBL7822473 0.80 POLB (0.47) POLBNISCHALDH1A1KMT2AMEN1
SCHEMBL7818619 0.78 ALDH1A1 (0.58) POLBNISCHALDH1A1KMT2AMEN1
SCHEMBL7810147 0.76 POLB (0.55) POLBNISCHALDH1A1KMT2AMEN1
SCHEMBL7818287 0.76 POLB (0.73) POLBALDH1A1KMT2AMEN1MAPT
SCHEMBL7810528 0.75 POLB (0.54) POLBALDH1A1KMT2AMEN1TDP1
SCHEMBL7817587 0.75 POLB (0.54) POLBNISCHALDH1A1KMT2AMEN1

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
EP-0894796-B1 Imidazolines substituted with a heterocyclic ring as alpha-2 antagonists ADIR (FR) 2001-06-06 EP disclosed
US-6057317-A Heterocyclic compounds ADIR ET COMPAGNIE (FR) 2000-05-02 US disclosed
EP-0894796-A1 Imidazolines substituted with a heterocyclic ring as alpha-2 antagonists ADIR ET COMPAGNIE (FR) 1999-02-03 EP disclosed