SCHEMBL30541950

SCHEMBL30541950

COC(=O)c1cncc(-c2ccc3c(c2)C(=O)OC2(CCN(C(=O)c4cc(OC)c5c(C)cn(C6CC6)c5c4)CC2)C3)c1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 15/20 0.74
ACACA Q13085 1/20 0.74

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
SCHEMBL20602901 1.00 ACACB (0.74) ACACBACACA
SCHEMBL30541948 1.00 ACACB (0.74) ACACBACACA
SCHEMBL30636814 1.00 ACACB (0.74) ACACBACACA
SCHEMBL20602906 0.94 ACACB (0.83) ACACBACACA
SCHEMBL308274 0.90 ACACB (0.90) ACACBACACA
SCHEMBL308680 0.85 ACACB (1.00) ACACBACACA
SCHEMBL309998 0.84 ACACB (0.99) ACACBACACA
SCHEMBL310000 0.84 ACACB (0.99) ACACBACACA
SCHEMBL309999 0.83 ACACB (0.89) ACACBACACA
SCHEMBL308838 0.82 ACACB (0.86) 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-110799187-B Spirolactone compounds 汇科锦公司 2023-10-03 CN disclosed