SCHEMBL28772157

SCHEMBL28772157

[c]1ccccc1C1=CCOCC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.34
PIK3CA P42336 4/20 0.34
MAPK14 Q16539 8/20 0.33
FABP7 O15540 3/20 0.33
CSNK1D P48730 2/20 0.33
CSNK1E P49674 2/20 0.33
PIK3CB P42338 3/20 0.32
PIK3CG P48736 3/20 0.32
PIK3R1 P27986 2/20 0.30
SSTR4 P31391 1/20 0.30
FABP5 Q01469 2/20 0.30
FABP3 P05413 1/20 0.30

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
SCHEMBL2657767 0.77
SCHEMBL18857842 0.72 MAPK14 (0.47) PIK3CDPIK3CAMAPK14FABP7CSNK1D
SCHEMBL2658418 0.72 TDP1 (0.34)
SCHEMBL648206 0.70 TDP1 (0.40)
SCHEMBL20448631 0.69 PIK3CD (0.37) PIK3CDPIK3CAMAPK14FABP7CSNK1D
SCHEMBL676974 0.69 TDP1 (0.39)
SCHEMBL10793637 0.69 TDP1 (0.39)
SCHEMBL28815061 0.69 MAOB (0.40)
SCHEMBL4982315 0.67 CSF1R (0.43) PIK3CA
SCHEMBL115447 0.66 CYP3A4 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114891070-A Anthelmintic depsipeptide compounds 勃林格殷格翰动物保健美国公司 2022-08-12 CN disclosed
CN-107835818-B Anthelmintic depsipeptide compounds 勃林格殷格翰动物保健美国公司 2022-04-29 CN disclosed
CN-108699052-B Anthelmintic depsipeptide compounds 勃林格殷格翰动物保健美国公司 2022-04-29 CN disclosed