SCHEMBL28061306

SCHEMBL28061306

CCOC(=O)C(OC=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.50
PIN1 Q13526 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
GLS O94925 1/20 0.44
LMNA P02545 2/20 0.43
MDM4 O15151 1/20 0.43
MAPT P10636 1/20 0.43
MDM2 Q00987 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 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
SCHEMBL28539222 0.91 SLC6A2 (0.45) MMP8PIN1KMT2AMEN1NPC1
SCHEMBL28279388 0.90 SMN1; SMN2 (0.44) MMP8PIN1SMN1; SMN2GLSLMNA
Cyclohexane SCHEMBL28548064 0.83 LMNA (0.44) KMT2ASMN1; SMN2GLSLMNATSHR
SCHEMBL22355969 0.83 KMT2A (0.61) KMT2AMEN1SMN1; SMN2GLSLMNA
SCHEMBL16015690 0.83 KMT2A (0.61) KMT2AMEN1SMN1; SMN2GLSLMNA
Cyclohexane SCHEMBL28549114 0.81 TSHR (0.44) NPC1SMN1; SMN2GLSLMNATSHR
SCHEMBL2312705 0.81 MMP8 (0.54) MMP8PIN1KMT2AMEN1NPC1
SCHEMBL17653672 0.81 MMP8 (0.54) MMP8PIN1KMT2AMEN1NPC1
SCHEMBL4599256 0.81 MMP8 (0.54) MMP8PIN1KMT2AMEN1NPC1
SCHEMBL12951609 0.81 MMP8 (0.54) MMP8PIN1KMT2AMEN1NPC1

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
CN-115702138-A Enol ether pro-fragrances 弗门尼舍有限公司 2023-02-14 CN disclosed
CN-105521050-A Heat clearing, swelling diminishing, blood activating and blood stasis removing patch with rhizoma coptidis and flos carthami LI XIAOJING 2016-04-27 CN disclosed