SCHEMBL28339016

SCHEMBL28339016

CCOC(=O)CC(C)=O.CN(c1ccccc1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
PPID Q08752 1/20 0.42
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
POLQ O75417 1/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
THRB P10828 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38

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
Fluorobenzene SCHEMBL27833809 0.77 GAA (0.47) SMN1; SMN2PPIDALDH1A1MEN1KMT2A
Toluene SCHEMBL8882403 0.77 GAA (0.50) SMN1; SMN2PPIDALDH1A1MEN1KMT2A
Phenol SCHEMBL27983651 0.76 GAA (0.49) SMN1; SMN2PPIDALDH1A1MEN1KMT2A
SCHEMBL28365014 0.76 GAA (0.48) SMN1; SMN2PPIDALDH1A1MEN1KMT2A
Benzene SCHEMBL28270557 0.75 GAA (0.61) SMN1; SMN2PPIDALDH1A1MEN1KMT2A
Chlorobenzene SCHEMBL28265424 0.74 SMN1; SMN2 (0.47) SMN1; SMN2PPIDALDH1A1MEN1KMT2A
Benzoic Acid SCHEMBL11314023 0.74 DAO (0.48) SMN1; SMN2PPIDALDH1A1MEN1KMT2A
SCHEMBL8472209 0.74 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1MEN1KMT2APOLQ
SCHEMBL7437685 0.74 SMN1; SMN2 (0.50) SMN1; SMN2PPIDALDH1A1MEN1KMT2A
SCHEMBL21530451 0.74 SMN1; SMN2 (0.50) SMN1; SMN2PPIDALDH1A1MEN1KMT2A

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-110437146-A A kind of preparation of quinoline 4- hydroxy methacrylates class compound and its application in controlling plant diseases UNIV LANZHOU 2019-11-12 CN disclosed