SCHEMBL28458916

SCHEMBL28458916

COc1cc(/C=C2\COC/C(=C\c3ccccc3Cl)C2=O)ccc1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.76
MAPK1 P28482 3/20 0.76
ALDH1A1 P00352 3/20 0.76
PKM P14618 2/20 0.76
RAB9A P51151 2/20 0.76
NPSR1 Q6W5P4 2/20 0.76
L3MBTL1 Q9Y468 2/20 0.76
JAK2 O60674 1/20 0.76
LMNA P02545 1/20 0.76
GAA P10253 1/20 0.76
MAOB P27338 2/20 0.62
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
JUN P05412 1/20 0.60
MME P08473 1/20 0.60
NFKB1 P19838 1/20 0.60
NOD2 Q9HC29 1/20 0.60
ATM Q13315 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59

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
SCHEMBL27930226 0.90 MAPT (0.74) MAPTMAPK1ALDH1A1PKMRAB9A
SCHEMBL28456379 0.88 MAPT (0.74) MAPTMAPK1ALDH1A1PKMRAB9A
SCHEMBL10063287 0.87 MAPT (1.00) MAPTMAPK1ALDH1A1PKMRAB9A
SCHEMBL29857286 0.87 MAPT (1.00) MAPTMAPK1ALDH1A1PKMRAB9A
SCHEMBL28462169 0.83 MAPT (0.90) MAPTMAPK1ALDH1A1PKMRAB9A
SCHEMBL28458033 0.82 MAPT (0.88) MAPTMAPK1ALDH1A1PKMRAB9A
SCHEMBL27912172 0.79 MAPT (0.80) MAPTMAPK1ALDH1A1PKMRAB9A
SCHEMBL28467807 0.79 MAPT (0.81) MAPTMAPK1ALDH1A1PKMRAB9A
SCHEMBL28096420 0.78 DYRK2 (0.67) MAPTMAPK1ALDH1A1NPSR1LMNA
SCHEMBL28899384 0.78 MAPT (0.80) MAPTMAPK1ALDH1A1PKMRAB9A

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-107501219-B Asymmetric curcumin compound and application thereof in preparation of anti-gastric cancer drugs 温州医科大学 2020-09-25 CN disclosed