SCHEMBL29538293

SCHEMBL29538293

CCOC(=O)c1sc2c(c1C)c(=O)n(CCO)c(=O)n2CCc1ccc2ccccc2c1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.80
ACACA Q13085 1/20 0.80
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
ADORA2B P29275 14/20 0.66
LMNA P02545 1/20 0.49
TRPC5 Q9UL62 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
SCHEMBL14936320 1.00 ACACB (0.80) ACACBACACAMEN1KMT2AADORA2B
SCHEMBL14936206 0.92 MEN1 (0.79) ACACBACACAMEN1KMT2AADORA2B
SCHEMBL29538303 0.92 MEN1 (0.79) ACACBACACAMEN1KMT2AADORA2B
SCHEMBL14944943 0.89 ACACB (1.00) ACACBACACAMEN1KMT2AADORA2B
SCHEMBL14944962 0.87 ACACB (0.82) ACACBACACAMEN1KMT2AADORA2B
SCHEMBL14945616 0.86 ADORA2B (0.62) ACACBACACAMEN1KMT2AADORA2B
SCHEMBL16541208 0.86 ACACB (0.80) ACACBACACAMEN1KMT2AADORA2B
SCHEMBL14944960 0.85 ACACB (0.82) ACACBACACAMEN1KMT2AADORA2B
SCHEMBL14935935 0.85 ACACB (0.82) ACACBACACAMEN1KMT2AADORA2B
SCHEMBL14941541 0.84 ACACB (0.74) ACACBACACAMEN1KMT2AADORA2B

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-109970760-B ACC inhibitors and uses thereof 吉利德阿波罗公司 2022-04-26 CN disclosed