SCHEMBL4743342

SCHEMBL4743342

CC(CNC(=O)C1COc2ccccc2O1)(c1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.63
HTT P42858 1/20 0.63
POLB P06746 1/20 0.61
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
RAB9A P51151 3/20 0.58
ALDH1A1 P00352 2/20 0.58
TSHR P16473 2/20 0.56
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 2/20 0.55
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52

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
SCHEMBL11013240 0.80 HPGD (0.75) HPGDHTTPOLBMEN1KMT2A
SCHEMBL13958758 0.77 USP2 (0.69) HPGDHTTPOLBMEN1KMT2A
SCHEMBL14067517 0.75 POLB (0.69) HPGDHTTPOLBMEN1KMT2A
SCHEMBL13973078 0.75 HPGD (0.61) HPGDHTTPOLBMEN1KMT2A
SCHEMBL13923633 0.75 RAB9A (0.65) HPGDHTTPOLBMEN1KMT2A
SCHEMBL13543185 0.75 HPGD (0.55) HPGDHTTPOLBMEN1KMT2A
SCHEMBL708029 0.75 POLB (0.77) HPGDHTTPOLBMEN1KMT2A
SCHEMBL14067736 0.74 SMN1; SMN2 (0.53) HPGDHTTPOLBMEN1KMT2A
SCHEMBL4651767 0.74 RAB9A (0.71) HPGDHTTPOLBMEN1KMT2A
SCHEMBL7976728 0.73 POLB (0.62) HPGDHTTPOLBMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008106633-A1 METHODS OF USING BENZODIOXINE COMPOUNDS IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-09-04 WO disclosed
WO-2008106633-A1 METHODS OF USING BENZODIOXINE COMPOUNDS IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-09-04 WO disclosed