SCHEMBL7817587

SCHEMBL7817587

CCOC(=O)C1CN(C)c2cc(C(C)=O)ccc2O1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.54
ALDH1A1 P00352 8/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.48
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
CPT1A P50416 1/20 0.44
RECQL P46063 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
APEX1 P27695 1/20 0.42
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 2/20 0.40
NISCH Q9Y2I1 1/20 0.40
CTDSP1 Q9GZU7 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
SCHEMBL7823419 0.92 POLB (0.47) POLBALDH1A1KMT2AMEN1CYP4F2
SCHEMBL7818619 0.86 ALDH1A1 (0.58) POLBALDH1A1KMT2AMEN1CYP4F2
SCHEMBL7810147 0.84 POLB (0.55) POLBALDH1A1KMT2AMEN1CYP4F2
SCHEMBL7818287 0.84 POLB (0.73) POLBALDH1A1KMT2AMEN1CYP4F2
SCHEMBL7820037 0.83 POLB (0.53) POLBALDH1A1KMT2AMEN1CYP4F2
SCHEMBL7808798 0.83 ALDH1A1 (0.60) POLBALDH1A1KMT2AMEN1CYP4F2
SCHEMBL7810528 0.83 POLB (0.54) POLBALDH1A1KMT2AMEN1CYP4F2
SCHEMBL7818136 0.81 ALDH1A1 (0.57) POLBALDH1A1KMT2AMEN1CYP4F2
SCHEMBL7820546 0.80 ALDH1A1 (0.52) POLBALDH1A1KMT2AMEN1CYP4F2
SCHEMBL17447947 0.80 POLB (0.50) POLBALDH1A1KMT2AMEN1CYP4F2

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