SCHEMBL29538583

SCHEMBL29538583

Cc1c(-c2ncco2)sc2c1c(=O)n(C(C)(C)C(=O)O)c(=O)n2C[C@H](OC1CCOCC1)c1ccccc1O

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 18/20 0.77
ACACB O00763 13/20 0.77

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
SCHEMBL14936637 1.00 ACACA (0.77) ACACAACACB
SCHEMBL20637825 1.00 ACACA (0.77) ACACAACACB
SCHEMBL14936639 1.00 ACACA (0.77) ACACAACACB
SCHEMBL29538466 0.94 ACACA (0.87) ACACAACACB
SCHEMBL14936366 0.94 ACACA (0.87) ACACAACACB
SCHEMBL14936364 0.94 ACACA (0.87) ACACAACACB
SCHEMBL14936267 0.94 ACACA (0.78) ACACAACACB
SCHEMBL14945446 0.94 ACACA (0.78) ACACAACACB
SCHEMBL29453872 0.94 ACACA (0.78) ACACAACACB
SCHEMBL14936266 0.94 ACACA (0.78) 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