SCHEMBL10620446

SCHEMBL10620446

CCOC(=O)COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 13/20 0.83
MAPT P10636 4/20 0.81
GAA P10253 1/20 0.81
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
POLB P06746 1/20 0.67
ALDH1A1 P00352 3/20 0.64
MAOA P21397 5/20 0.64
MAOB P27338 5/20 0.64
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
RAB9A P51151 1/20 0.53
EGFR P00533 1/20 0.52
XDH P47989 1/20 0.52

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
SCHEMBL2107428 0.94 ALDH2 (0.90) ALDH2MAPTGAAMEN1KMT2A
SCHEMBL10624579 0.92 ALDH2 (0.86) ALDH2MAPTGAAMEN1KMT2A
SCHEMBL10624708 0.91 ALDH2 (1.00) ALDH2MAPTGAAMEN1KMT2A
SCHEMBL8983972 0.89 MAPT (1.00) ALDH2MAPTGAAMEN1KMT2A
SCHEMBL12940403 0.86 ALDH2 (0.81) ALDH2MAPTGAAMEN1KMT2A
SCHEMBL11551965 0.85 MEN1 (0.75) ALDH2MAPTGAAMEN1KMT2A
SCHEMBL4261437 0.83 MAPT (0.80) ALDH2MAPTGAAMEN1KMT2A
SCHEMBL4095148 0.82 MAPT (0.87) ALDH2MAPTGAAMEN1KMT2A
SCHEMBL10620426 0.81 ALDH1A1 (0.59) ALDH2MAPTGAAMEN1KMT2A
SCHEMBL11016377 0.80 ALDH2 (0.89) ALDH2MAPTGAAMAOAMAOB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4772627-A AMORPHOUS DRUG AND ADSORBENT, IMPROVED DISSOLUTION AND ADSORPTION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-09-20 US disclosed
EP-0129893-A2 Ground mixture Takeda Chemical Industries, Ltd. (JP) 1985-01-02 EP disclosed