SCHEMBL28106367

SCHEMBL28106367

COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OCC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.67
ABCG2 Q9UNQ0 2/20 0.67
CREB1 P16220 5/20 0.65
FLT3 P36888 3/20 0.65
SLCO2B1 O94956 1/20 0.65
PRSS1 P07477 1/20 0.65
PRSS2 P07478 1/20 0.65
PRSS3 P35030 1/20 0.65
KDM4E B2RXH2 2/20 0.64
POLB P06746 2/20 0.64
MAPT P10636 2/20 0.64
ADORA3 P0DMS8 1/20 0.64
PTPRS Q13332 1/20 0.62
RECQL P46063 1/20 0.60
CYP1A1 P04798 2/20 0.59
CYP1B1 Q16678 2/20 0.59
CYP1A2 P05177 1/20 0.59
OPRD1 P41143 1/20 0.59
AURKA O14965 1/20 0.58
KDR P35968 1/20 0.58

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
SCHEMBL7608398 0.91 CREB1 (0.68) ABCB1ABCG2CREB1FLT3SLCO2B1
SCHEMBL971224 0.89 CREB1 (0.79) ABCB1ABCG2CREB1FLT3SLCO2B1
Mosloflavone SCHEMBL29477310 0.87 KDM4E (0.81) ABCB1ABCG2CREB1FLT3SLCO2B1
Mosloflavone SCHEMBL971985 0.87 KDM4E (0.81) ABCB1ABCG2CREB1FLT3SLCO2B1
SCHEMBL971911 0.87 CREB1 (0.80) ABCB1ABCG2CREB1FLT3SLCO2B1
SCHEMBL7608648 0.83 FLT3 (0.76) CREB1FLT3SLCO2B1PRSS1PRSS2
SCHEMBL15674607 0.82 ABCB1 (0.81) ABCB1ABCG2CREB1FLT3SLCO2B1
SCHEMBL30152130 0.82 ABCB1 (0.81) ABCB1ABCG2CREB1FLT3SLCO2B1
SCHEMBL718970 0.82 ABCB1 (0.81) ABCB1ABCG2CREB1FLT3SLCO2B1
SCHEMBL7605301 0.82 CYP1B1 (0.78) ABCB1ABCG2FLT3KDM4EPOLB

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-106188019-A The Preparation method and use of one class baicalin 7 methyl ether derivative 福建医科大学附属协和医院 2016-12-07 CN disclosed