SCHEMBL28899223

SCHEMBL28899223

CCON=C(C)C(=O)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
ELANE P08246 3/20 0.41
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
HSP90AA1 P07900 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 1/20 0.37
USP2 O75604 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
GAA P10253 1/20 0.37
PTGS2 P35354 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL29080888 0.81 ELANE (0.44) MAPTELANEALDH1A1SMN1; SMN2KDM4E
SCHEMBL28613979 0.81 ELANE (0.44) MAPTELANEALDH1A1SMN1; SMN2KDM4E
SCHEMBL14667478 0.81 ELANE (0.44) MAPTELANEALDH1A1SMN1; SMN2KDM4E
SCHEMBL10952501 0.77 ELANE (0.46) MAPTELANEALDH1A1KDM4EHSP90AA1
SCHEMBL10952497 0.77 ELANE (0.46) MAPTELANEALDH1A1KDM4EHSP90AA1
Diphenyl Ethanedioat SCHEMBL27942895 0.73 ELANE (0.53) MAPTELANEALDH1A1KDM4EHSP90AA1
SCHEMBL7899007 0.73 MEN1 (0.55) MAPTALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL7688111 0.73 ELANE (0.47) MAPTELANEALDH1A1SMN1; SMN2HSP90AA1
SCHEMBL432377 0.72 ELANE (0.42) MAPTELANEALDH1A1KDM4EMEN1
SCHEMBL43236 0.72 ELANE (0.52) MAPTELANEALDH1A1KDM4EHSP90AA1

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-211411987-U Trifloxystrobin original drug preparation bromination cauldron 江西欧氏化工有限公司 2020-09-04 CN disclosed