SCHEMBL29538347

SCHEMBL29538347

COCc1ccccc1[C@H](Cn1c(=O)n(C(C)(C)C(=O)O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 18/20 0.76
ACACB O00763 13/20 0.76

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
SCHEMBL20637798 1.00 ACACA (0.76) ACACAACACB
SCHEMBL14935821 1.00 ACACA (0.76) ACACAACACB
SCHEMBL14935820 1.00 ACACA (0.76) ACACAACACB
SCHEMBL29538800 0.95 ACACA (0.76) ACACAACACB
SCHEMBL14936537 0.95 ACACA (0.76) ACACAACACB
SCHEMBL20637836 0.95 ACACA (0.76) ACACAACACB
SCHEMBL14936536 0.95 ACACA (0.76) ACACAACACB
SCHEMBL14937031 0.94 ACACA (0.72) ACACAACACB
SCHEMBL20210421 0.94 ACACA (0.72) ACACAACACB
SCHEMBL29538115 0.94 ACACA (0.72) 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