SCHEMBL29538145

SCHEMBL29538145

CCOc1ccccc1[C@H](Cn1c(=O)n(C(C)(C)C(=O)O)c(=O)c2c(C)c(-c3ncco3)sc21)OC(C)C

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 20/20 0.69
ACACB O00763 12/20 0.69

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
SCHEMBL14936483 1.00 ACACA (0.69) ACACAACACB
SCHEMBL14936482 1.00 ACACA (0.69) ACACAACACB
SCHEMBL20637791 1.00 ACACA (0.69) ACACAACACB
SCHEMBL14936477 0.95 ACACA (0.76) ACACAACACB
SCHEMBL29538459 0.95 ACACA (0.76) ACACAACACB
SCHEMBL20637793 0.95 ACACA (0.76) ACACAACACB
SCHEMBL14936475 0.95 ACACA (0.76) ACACAACACB
SCHEMBL14936020 0.92 ACACA (0.68) ACACAACACB
SCHEMBL20637828 0.92 ACACA (0.68) ACACAACACB
SCHEMBL14936021 0.92 ACACA (0.68) ACACAACACB

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