SCHEMBL2646946

SCHEMBL2646946

CC(C)CC([C]=O)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.42
FFAR1 O14842 1/20 0.41
SLC6A3 Q01959 4/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A2 P23975 3/20 0.39
POLB P06746 1/20 0.38
FFAR2 O15552 2/20 0.37
BRD4 O60885 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
AKT1 P31749 1/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 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
SCHEMBL11211687 0.80 ALDH1A1 (0.41) SLC6A3ALDH1A1LMNACHRM2ADRA2B
SCHEMBL3741295 0.80 FFAR1 (0.42) ADRB2FFAR1SLC6A3SLC6A4SLC6A2
SCHEMBL436858 0.73 ADRB2 (0.50) ADRB2SLC6A3SLC6A4SLC6A2FFAR2
SCHEMBL96816 0.73 ADRB2 (0.50) ADRB2FFAR1SLC6A3SLC6A2POLB
Hydrochloric Acid SCHEMBL4498923 0.71 ADRB2 (0.48) ADRB2SLC6A3SLC6A4SLC6A2POLB
SCHEMBL9419163 0.69 ADRB2 (0.46) ADRB2SLC6A3SLC6A4SLC6A2POLB
SCHEMBL22517167 0.69 ADRB2 (0.46) ADRB2SLC6A3SLC6A4SLC6A2POLB
SCHEMBL12243879 0.69 AOC3 (0.53) ADRB2SLC6A3SLC6A4SLC6A2POLB
SCHEMBL13995177 0.69 ADRB2 (0.58) ADRB2SLC6A3SLC6A4SLC6A2L3MBTL1
SCHEMBL11611030 0.68 ADRB2 (0.45) ADRB2SLC6A3SLC6A2POLBFFAR2

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-1169312-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-09 EP disclosed
WO-2000058293-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-05 WO disclosed