SCHEMBL7808798

SCHEMBL7808798

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

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.60
KMT2A Q03164 5/20 0.59
MEN1 O00255 2/20 0.59
POLB P06746 3/20 0.54
TDP1 Q9NUW8 2/20 0.47
NISCH Q9Y2I1 1/20 0.46
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
SIRT2 Q8IXJ6 2/20 0.43
SIRT1 Q96EB6 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL7820260 0.92 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1POLBTDP1
SCHEMBL10854878 0.89 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1POLBTDP1
SCHEMBL7818619 0.86 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1POLBNISCH
SCHEMBL7818287 0.84 POLB (0.73) ALDH1A1KMT2AMEN1POLBCYP3A4
SCHEMBL7810147 0.84 POLB (0.55) ALDH1A1KMT2AMEN1POLBTDP1
SCHEMBL7820037 0.83 POLB (0.53) ALDH1A1KMT2AMEN1POLBNPSR1
SCHEMBL7817587 0.83 POLB (0.54) ALDH1A1KMT2AMEN1POLBTDP1
SCHEMBL7810528 0.83 POLB (0.54) ALDH1A1KMT2AMEN1POLBTDP1
SCHEMBL10855360 0.81 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1POLBTDP1
SCHEMBL7818136 0.81 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1POLBCYP3A4

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