SCHEMBL29058680

SCHEMBL29058680

CCOC(=O)C(C(C)=O)C(=O)c1ccccc1OC(F)F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 6/20 0.42
LMNA P02545 4/20 0.42
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 0.42
TSHR P16473 1/20 0.41
HTT P42858 2/20 0.41
ALPL P05186 1/20 0.41
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NR1I2 O75469 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
SCHEMBL9501037 0.85 TSHR (0.45) SMN1; SMN2ALDH1A1LMNAHCRTR1HCRTR2
SCHEMBL28095243 0.83 PTGS2 (0.51) ALDH1A1LMNAHCRTR1TSHRRAB9A
SCHEMBL22979125 0.80 TSHR (0.62) SMN1; SMN2ALDH1A1LMNAHCRTR1HCRTR2
SCHEMBL11163042 0.77 TSHR (0.46) ALDH1A1LMNATSHRRAB9AMEN1
SCHEMBL16796952 0.77 MEN1 (0.46) SMN1; SMN2ALDH1A1LMNAHCRTR1HCRTR2
SCHEMBL11788534 0.76 CDC25B (0.57) ALDH1A1TSHRMEN1KMT2A
SCHEMBL12438201 0.75 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1LMNAHCRTR1HCRTR2
SCHEMBL1286684 0.74 IRAK4 (0.53) SMN1; SMN2ALDH1A1LMNAHTTALPL
SCHEMBL2761612 0.74 PTGS2 (0.54) ALDH1A1LMNATSHRRAB9AMEN1
SCHEMBL2036336 0.73 NPC1 (0.54) SMN1; SMN2ALDH1A1LMNATSHRRAB9A

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-116236478-A Application of aromatic heterocyclic formamide compound 浙江大学 2023-06-09 CN disclosed