SCHEMBL20052973

SCHEMBL20052973

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

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 20/20 0.62
ACACB O00763 12/20 0.62

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
SCHEMBL14935941 0.95 ACACA (0.62) ACACAACACB
SCHEMBL14935942 0.95 ACACA (0.62) ACACAACACB
SCHEMBL20637811 0.95 ACACA (0.62) ACACAACACB
SCHEMBL14935858 0.95 ACACA (0.62) ACACAACACB
SCHEMBL14935856 0.95 ACACA (0.62) ACACAACACB
SCHEMBL20637840 0.93 ACACA (0.64) ACACAACACB
SCHEMBL14936288 0.93 ACACA (0.64) ACACAACACB
SCHEMBL14936289 0.93 ACACA (0.64) ACACAACACB
SCHEMBL20220620 0.90 ACACA (0.69) ACACAACACB
SCHEMBL14945275 0.90 ACACA (0.58) 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
US-9944655-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2018-04-17 US disclosed