SCHEMBL10425232

SCHEMBL10425232

COc1cc2c(c(OC)c1OC)O[C@@H](c1ccccc1)CC2=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.60
ABCB1 P08183 3/20 0.60
MAPT P10636 2/20 0.59
MEN1 O00255 1/20 0.59
POLB P06746 1/20 0.59
GAA P10253 1/20 0.59
PABPC1 P11940 1/20 0.59
APEX1 P27695 1/20 0.59
RECQL P46063 1/20 0.59
KMT2A Q03164 1/20 0.59
EIF4H Q15056 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CYP19A1 P11511 3/20 0.58
MAOB P27338 5/20 0.54
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
AR P10275 1/20 0.54
CYP3A4 P08684 1/20 0.54

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
SCHEMBL17907269 0.90 MEN1 (0.67) ABCG2ABCB1MAPTMEN1POLB
SCHEMBL16894664 0.90 MAOB (0.60) ABCG2ABCB1MAPTCYP19A1MAOB
SCHEMBL16894614 0.89 PTAFR (0.49) ABCG2ABCB1MAPTMEN1POLB
SCHEMBL30674790 0.89 MAOB (0.57) ABCG2ABCB1MAPTMEN1POLB
SCHEMBL16894660 0.87 ODC1 (0.50) ABCG2ABCB1MAPTMEN1POLB
SCHEMBL19736057 0.84 CYP19A1 (0.62) ABCG2MAPTMEN1POLBGAA
SCHEMBL28879338 0.83 ABCG2 (0.77) ABCG2ABCB1MAPTMEN1POLB
SCHEMBL16894629 0.83 CYP19A1 (0.52) ABCG2ABCB1MAPTMEN1POLB
SCHEMBL4050327 0.83 ABCG2 (0.50) ABCG2ABCB1MAPTMEN1POLB
SCHEMBL2879029 0.82 ABCG2 (0.67) ABCG2ABCB1MAPTMEN1POLB

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
US-4935441-A Flavene and thioflavene derivates, processes for their manufacture, pharmaceutical preparations that contain such compounds, and the use of the latter ZYMA SA (CH) 1990-06-19 US disclosed
EP-0139615-B1 FLAVENE AND THIOFLAVENE DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL PREPARATIONS THAT CONTAIN SUCH COMPOUNDS, AND THE USE OF THE LATTER Zyma SA (CH) 1989-04-19 EP disclosed
EP-0139615-A2 Flavene and thioflavene derivatives, processes for their manufacture, pharmaceutical preparations that contain such compounds, and the use of the latter Zyma SA (CH) 1985-05-02 EP disclosed