SCHEMBL13638917

SCHEMBL13638917

C=C(O)COc1cc(C(C)C)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.43
BCHE P06276 8/20 0.43
FFAR1 O14842 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
TYR P14679 1/20 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
SCHEMBL12868991 0.84 FFAR1 (0.51) ACHEBCHEFFAR1L3MBTL1
SCHEMBL765724 0.79 BCHE (0.51) ACHEBCHEFFAR1L3MBTL1TYR
SCHEMBL10206356 0.78 HTT (0.46) ACHEBCHEL3MBTL1
SCHEMBL765839 0.78 HTT (0.41) ACHEBCHEL3MBTL1
SCHEMBL765840 0.77 ALDH1A1 (0.42) ACHEBCHEL3MBTL1GAA
SCHEMBL20738296 0.77 BCHE (0.53) ACHEBCHETYR
SCHEMBL13094090 0.76 ACHE (0.41) ACHEBCHE
SCHEMBL20206848 0.76 ACHE (0.41) ACHEBCHEL3MBTL1GAA
SCHEMBL765878 0.76 HTT (0.42) ACHEBCHEL3MBTL1GAA
SCHEMBL20374238 0.76 DUT (0.42) ACHEBCHEL3MBTL1

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-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed