SCHEMBL28279388

SCHEMBL28279388

CCCc1ccccc1.CCOC(=O)C(OC=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 2/20 0.43
CTSK P43235 2/20 0.43
MMP8 P22894 2/20 0.43
GLS O94925 1/20 0.41
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
PIN1 Q13526 1/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
MCL1 Q07820 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL28061306 0.90 MMP8 (0.50) SMN1; SMN2MAPTMMP8GLSRECQL
Butylbenzyl SCHEMBL28279404 0.83 CTSK (0.50) SMN1; SMN2CTSKGLSL3MBTL1LMNA
SCHEMBL28539222 0.82 SLC6A2 (0.45) SMN1; SMN2MMP8GLSPIN1KDM4E
Cyclohexane SCHEMBL28548064 0.78 LMNA (0.44) SMN1; SMN2GLSLMNAALDH1A1
SCHEMBL28278028 0.77 ALDH1A1 (0.52) SMN1; SMN2MAPTMMP8RECQLL3MBTL1
Cyclohexane SCHEMBL28549114 0.76 TSHR (0.44) SMN1; SMN2CTSKGLSL3MBTL1LMNA
SCHEMBL14945154 0.75 LMNA (0.51) SMN1; SMN2MAPTMMP8RECQLL3MBTL1
SCHEMBL27585390 0.75 LMNA (0.51) SMN1; SMN2MAPTMMP8RECQLL3MBTL1
SCHEMBL9557080 0.75 TDP1 (0.53) SMN1; SMN2MAPTMMP8RECQLL3MBTL1
Cyclohexane SCHEMBL28537169 0.75 NPC1 (0.48) SMN1; SMN2CTSKGLSLMNAALDH1A1

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-109553712-A A kind of catalytic component and its catalyst for olefinic polymerization 中国石油化工股份有限公司 2019-04-02 CN claimed
CN-109553705-A A kind of catalytic component and preparation method thereof for olefinic polymerization 中国石油化工股份有限公司 2019-04-02 CN claimed