SCHEMBL20220620

SCHEMBL20220620

CO[C@@H](Cn1c(=O)n(C(C)(C)C(=O)O)c(=O)c2c(C)c(-c3ncco3)sc21)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 20/20 0.69
ACACB O00763 12/20 0.69

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
SCHEMBL20637840 0.92 ACACA (0.64) ACACAACACB
SCHEMBL14936288 0.92 ACACA (0.64) ACACAACACB
SCHEMBL14936289 0.92 ACACA (0.64) ACACAACACB
SCHEMBL14936508 0.92 ACACA (0.64) ACACAACACB
SCHEMBL14945162 0.92 ACACA (0.64) ACACAACACB
SCHEMBL14936506 0.92 ACACA (0.64) ACACAACACB
SCHEMBL16920248 0.91 ACACA (0.63) ACACAACACB
SCHEMBL21850050 0.91 ACACA (0.59) ACACAACACB
SCHEMBL20637838 0.91 ACACA (0.62) ACACAACACB
SCHEMBL20637833 0.91 ACACA (0.62) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3329919-B1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO LLC (US) 2019-11-06 EP disclosed
EP-3329919-A1 ACC INHIBITORS AND USES THEREOF Gilead Apollo, LLC (US) 2018-06-06 EP disclosed