SCHEMBL28097037

SCHEMBL28097037

COc1ccccc1COC(=O)c1c(OC)ccc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
KDM4E B2RXH2 2/20 0.50
IDO1 P14902 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
TSHR P16473 1/20 0.45
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL28101447 0.89 MEN1 (0.55) MEN1KMT2AL3MBTL1RXFP1IDO1
SCHEMBL6667180 0.80 PPARG (0.58) MEN1KMT2AL3MBTL1KDM4EIDO1
SCHEMBL286684 0.79 IDO1 (0.58) MEN1KMT2AL3MBTL1IDO1MAPT
SCHEMBL10827236 0.77 IDO1 (0.56) MEN1KMT2AL3MBTL1IDO1MAPT
SCHEMBL18398576 0.77 IDO1 (0.56) MEN1KMT2AL3MBTL1IDO1MAPT
SCHEMBL31072414 0.77 IDO1 (0.56) MEN1KMT2AL3MBTL1IDO1MAPT
SCHEMBL1030014 0.77 IDO1 (0.56) MEN1KMT2AL3MBTL1IDO1MAPT
SCHEMBL9271624 0.77 LMNA (0.57) MEN1KMT2AIDO1LMNAMAPT
SCHEMBL9330680 0.76 ALDH1A1 (0.55) MEN1KMT2ARXFP1KDM4ELMNA
SCHEMBL2296213 0.76 MEN1 (0.58) MEN1KMT2AL3MBTL1IDO1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105999166-A Formula and preparation method of traditional Chinese medicine for treating chilblain 三峡大学 2016-10-12 CN disclosed
CN-105998977-A Anti-cold medicine preparation 广西万德药业有限公司 2016-10-12 CN disclosed
CN-105963603-A Cold medicine and preparation method thereof 广西万德药业有限公司 2016-09-28 CN disclosed
CN-105902914-A Traditional Chinese medicine composition for treating wind-heat type common cold and preparation method thereof 广西万德药业有限公司 2016-08-31 CN disclosed