SCHEMBL7809581

SCHEMBL7809581

CCOC(=O)C1CN(C(=O)CCC(=O)OCc2ccccc2)c2ccccc2O1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.53
KMT2A Q03164 6/20 0.49
MEN1 O00255 4/20 0.49
GAA P10253 1/20 0.46
POLB P06746 3/20 0.45
ALDH1A1 P00352 3/20 0.43

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
SCHEMBL7817594 0.92 KMT2A (0.52) NOTUMKMT2AMEN1GAAPOLB
SCHEMBL8564040 0.87 P2RX4 (0.49) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL8564035 0.87 P2RX4 (0.49) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL8564037 0.87 P2RX4 (0.49) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL7829862 0.84 SIRT1 (0.49) NOTUMKMT2APOLBALDH1A1
SCHEMBL7819461 0.82 SIRT1 (0.47) NOTUMKMT2APOLBALDH1A1
SCHEMBL7821003 0.82 KMT2A (0.48) KMT2AMEN1POLBALDH1A1
SCHEMBL24377986 0.81 KMT2A (0.55) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL29516078 0.81 KMT2A (0.55) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL6973740 0.80 POLB (0.54) NOTUMKMT2AMEN1POLBALDH1A1

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