SCHEMBL28085577

SCHEMBL28085577

[CH2]c1ccc(OCOC)cc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.46
ALOX5 P09917 1/20 0.45
ABCB1 P08183 3/20 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
ABCG2 Q9UNQ0 1/20 0.41
GSTP1 P09211 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
FFAR1 O14842 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS2 P35354 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL96800 0.88 ALOX5 (0.58) MAOBALOX5MAPTL3MBTL1GSTP1
SCHEMBL6987612 0.83 MAOB (0.58) MAOBALOX5MAPTL3MBTL1LMNA
SCHEMBL7606123 0.79 MAOB (0.50) MAOBALOX5ABCB1HTR1ADRD2
SCHEMBL1962771 0.79 MAOB (0.64) MAOBMAPTTDP1L3MBTL1CYP2C19
SCHEMBL1963431 0.79 HDAC8 (0.52) MAOBALOX5MAPTTDP1HDAC8
SCHEMBL27252705 0.78 MAOB (0.74) MAOBALOX5
SCHEMBL6035769 0.78 MAOB (0.51) MAOBALOX5MAPTMAPK1TDP1
SCHEMBL4032308 0.77 ELANE (0.49) MAOBALOX5ABCB1HTR1ADRD2
SCHEMBL4028358 0.77 ABCB1 (0.47) MAOBALOX5ABCB1ABCG2HTR1A
SCHEMBL28085579 0.77 APP (0.46) ABCB1MAPTMAPK1TDP1L3MBTL1

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