SCHEMBL18914280

SCHEMBL18914280

CCC(C)(C)OC(=O)C(C)(C)n1c(=O)[nH]c2sc(Br)c(C)c2c1=O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.33
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL14945135 0.88 ACACB (0.38) ACACBALDH1A1MAPTRXFP1
SCHEMBL19361562 0.84 ALDH1A1 (0.38) ACACBALDH1A1MAPTRXFP1
SCHEMBL19369287 0.82 ALDH1A1 (0.31) ALDH1A1
SCHEMBL14945336 0.80 ACACB (0.34) ACACBALDH1A1MAPTRXFP1
SCHEMBL14945334 0.80 ALDH1A1 (0.30) ALDH1A1MAPTRXFP1
SCHEMBL16920270 0.79 ALDH1A1 (0.30) ALDH1A1MAPTRXFP1
SCHEMBL19348115 0.78 ALDH1A1 (0.36) ACACBALDH1A1MAPT
SCHEMBL14945492 0.77 ALDH1A1 (0.31) ACACBALDH1A1MAPTRXFP1
SCHEMBL18914284 0.77 ACACB (0.35) ACACB
SCHEMBL20867527 0.76 ALDH1A1 (0.33) ACACBALDH1A1MAPTRXFP1

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
WO-2017091600-A1 PYRAZOLE ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-06-01 WO disclosed