SCHEMBL27916802

SCHEMBL27916802

COc1cc(CNC(=O)c2ccccc2)cc(CNC(=O)c2ccccc2)c1O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
PPARD Q03181 2/20 0.57
PPARA Q07869 2/20 0.57
TTR P02766 1/20 0.56
HTT P42858 1/20 0.55
MAPT P10636 1/20 0.55
ERN1 O75460 1/20 0.54
HDAC1 Q13547 1/20 0.53
HPGD P15428 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GAA P10253 1/20 0.53
ERCC1 P07992 1/20 0.51
ERCC4 Q92889 1/20 0.51
LMNA P02545 1/20 0.51
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
GLA P06280 1/20 0.50
PPARG P37231 1/20 0.50

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
SCHEMBL12697047 0.92 SMN1; SMN2 (0.64) SMN1; SMN2HTTMAPTERN1HDAC1
SCHEMBL6848908 0.83 SMN1; SMN2 (0.66) SMN1; SMN2MAPTHPGDL3MBTL1LMNA
SCHEMBL5681720 0.81 ERCC1 (0.69) SMN1; SMN2ERCC1ERCC4
SCHEMBL7550210 0.81 SMN1; SMN2 (0.67) SMN1; SMN2PPARDPPARAHTTERN1
SCHEMBL24162968 0.81 HPGD (0.70) SMN1; SMN2MAPTERN1HPGDL3MBTL1
SCHEMBL582322 0.81 SMN1; SMN2 (0.85) SMN1; SMN2L3MBTL1LMNAALDH1A1
SCHEMBL12172996 0.79 HPGD (0.60) SMN1; SMN2MAPTHPGDL3MBTL1LMNA
SCHEMBL6848785 0.79 HTT (0.83) HTTMAPTHDAC1HPGDGAA
SCHEMBL5724399 0.78 NPC1 (0.64) SMN1; SMN2MAPTHPGDGAAALDH1A1
SCHEMBL30646461 0.78 ERCC1 (0.69) SMN1; SMN2PPARDPPARAL3MBTL1GAA

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-103223302-A Preparation method of self-assembly covalent cross-linked sodium filter membrane OCEAN UNIV CHINA 2013-07-31 CN claimed
CN-103223302-A Preparation method of self-assembly covalent cross-linked sodium filter membrane OCEAN UNIV CHINA 2013-07-31 CN disclosed