SCHEMBL28622158

SCHEMBL28622158

COC(C(N)=O)=C(OC)c1ccccc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.56
STAT3 P40763 1/20 0.49
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
HTT P42858 1/20 0.47
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 3/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL540772 0.88 STAT3 (0.54) CTSDSTAT3NPC1RAB9AHTT
Hydrochloric Acid SCHEMBL11853756 0.87 STAT3 (0.53) CTSDSTAT3NPC1RAB9AHTT
SCHEMBL31022703 0.85 CTSD (0.53) CTSDSTAT3NPC1RAB9AKCNK3
SCHEMBL9134542 0.85 CTSD (0.53) CTSDSTAT3NPC1RAB9AKCNK3
SCHEMBL10608286 0.83 CTSD (0.51) CTSDSTAT3NPC1RAB9AKCNK3
SCHEMBL29482240 0.83 CTSD (0.51) CTSDSTAT3NPC1RAB9AKCNK3
SCHEMBL1276319 0.79 STAT3 (0.46) CTSDSTAT3NPC1RAB9AHTT
SCHEMBL30664617 0.78 HPGD (0.47) CTSDSTAT3NPC1RAB9AKCNK3
SCHEMBL12810058 0.77 CTSD (0.59) CTSDSTAT3NPC1RAB9AHTT
SCHEMBL264288 0.76 IRAK4 (0.63) CTSDSTAT3NPC1RAB9AHTT

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-113429276-A Green process synthesis method of 3,4, 5-trimethoxybenzaldehyde 寿光永康化学工业有限公司 2021-09-24 CN disclosed