SCHEMBL28085579

SCHEMBL28085579

[CH2]c1ccc(CCOC)cc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ABCB1 P08183 5/20 0.44
FFAR4 Q5NUL3 1/20 0.44
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL28085577 0.77 MAOB (0.46) CYP1A2ABCB1HTR1ADRD2ABCG2
SCHEMBL10499877 0.76 MAOB (0.54) FFAR4
SCHEMBL791445 0.75 CYP4F2 (0.66) ABCB1HTR1ADRD2ENPP2BCHE
SCHEMBL21436894 0.75 APP (0.48) APPCYP2C9KMT2AMEN1FFAR4
SCHEMBL96800 0.74 ALOX5 (0.58) CYP1A2CYP3A4MAPTL3MBTL1LMNA
SCHEMBL4407617 0.74 ENPP2 (0.62) CYP1A2KMT2AMEN1FFAR4MAPT
SCHEMBL3558279 0.73 NPC1 (0.51) APPKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL10252335 0.73 HTR1A (0.69) ABCB1HTR1ADRD2ABCG2MAPT
SCHEMBL29153609 0.73 MAOB (0.57) CYP1A2KMT2AMEN1ABCB1HTR1A
SCHEMBL8306114 0.72 KDM4E (0.64) APPKDM4ECYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105849111-A Pyranochromenyl phenol derivative, and pharmaceutical composition for treating metabolic syndrome or inflammatory disease 依如睦生物科技株式会社 2016-08-10 CN disclosed