SCHEMBL20220441

SCHEMBL20220441

CCOC(O)c1sc2c(c1C)c(=O)n(C(C)(C)C(=O)OC(C)(C)C)c(=O)n2CCc1ccccc1CC

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.43
ADORA2B P29275 12/20 0.41
ACACA Q13085 3/20 0.40
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL14945739 0.92 ACACB (0.51) ACACBADORA2BACACA
SCHEMBL14945146 0.87 ACACB (0.53) ACACBADORA2BACACA
SCHEMBL14945733 0.84 ACACB (0.55) ACACBADORA2BACACAMEN1KMT2A
SCHEMBL14945774 0.83 ACACB (0.47) ACACBADORA2BACACAMEN1KMT2A
SCHEMBL14945175 0.82 ACACB (0.52) ACACBADORA2BACACA
SCHEMBL14950652 0.80 ACACB (0.56) ACACBADORA2BACACA
SCHEMBL14945319 0.78 ACACB (0.61) ACACBADORA2BACACA
SCHEMBL14945145 0.78 ACACA (0.59) ACACBACACA
SCHEMBL14945491 0.78 ADORA2B (0.54) ACACBADORA2BACACA
SCHEMBL20651073 0.77 ACACB (0.51) ACACBADORA2BACACAMEN1KMT2A

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
EP-3329919-A1 ACC INHIBITORS AND USES THEREOF Gilead Apollo, LLC (US) 2018-06-06 EP disclosed