SCHEMBL30130144

SCHEMBL30130144

COc1ccccc1C(=O)Cn1c(=O)n(C(C)(C)C(=O)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(=O)c2c(C)c(Br)sc21

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.48
ACACA Q13085 15/20 0.38
GAA P10253 1/20 0.36

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
SCHEMBL30130151 0.87 ACACB (0.59) ACACBACACA
SCHEMBL22144398 0.87 ACACB (0.61) ACACBACACAGAA
SCHEMBL30130178 0.86 ACACB (0.55) ACACBACACA
SCHEMBL14945384 0.83 ACACB (0.58) ACACBACACA
SCHEMBL14945411 0.82 ACACB (0.58) ACACBACACA
SCHEMBL14945424 0.81 ACACB (0.55) ACACBACACA
SCHEMBL14945435 0.80 ACACB (0.69) ACACBACACA
SCHEMBL14945469 0.80 ACACB (0.68) ACACBACACA
SCHEMBL30130074 0.79 ACACB (0.80) ACACBACACA
SCHEMBL14945396 0.79 ACACB (0.80) ACACBACACA

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-107629069-B Preparation method of acetyl coenzyme A carboxylase inhibitor 中国药科大学 2023-01-24 CN disclosed