Acetophenone

Acetophenone

SCHEMBL2199815

CC(=O)c1ccccc1.CC(COC(=O)O)OC(=O)O

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 5/20 0.41
TSHR P16473 1/20 0.41
MAOB P27338 2/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 1/20 0.39
CYP3A4 P08684 1/20 0.38

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
Acetophenone SCHEMBL28907188 0.88 ALDH1A1 (0.53) PPARGPPARALMNAMAPTSMN1; SMN2
Biphenyl SCHEMBL16832487 0.85 MAPT (0.51) PPARGPPARAMAPTALDH1A1TSHR
Naphthalene SCHEMBL9279427 0.85 ALDH1A1 (0.44) PPARGPPARAMAPTSMN1; SMN2RAB9A
Benzene SCHEMBL9744613 0.84 TSHR (0.39) MAPTRAB9AALDH1A1TSHRADRB2
Acetophenone SCHEMBL28519406 0.83 LMNA (0.44) PPARGPPARALMNAMAPTSMN1; SMN2
Toluene SCHEMBL8733079 0.83 TSHR (0.43) PPARGPPARALMNAMAPTSMN1; SMN2
Acetophenone SCHEMBL28519004 0.83 MAPT (0.47) PPARGPPARALMNAMAPTSMN1; SMN2
Diphenylether SCHEMBL11123399 0.82 MTNR1A (0.44) PPARGPPARALMNAMAPTSMN1; SMN2
Acetophenone SCHEMBL28521681 0.81 ALDH1A1 (0.43) PPARGPPARALMNAMAPTSMN1; SMN2
Benzyl Alcohol SCHEMBL8979912 0.81 TSHR (0.45) PPARGPPARALMNAMAPTRAB9A

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
US-7976747-B2 Method for restoring power cables NOVINIUM, INC. (US) 2011-07-12 US disclosed
US-20090133799-A1 METHOD FOR RESTORING POWER CABLES NOVINIUM, LLC 2009-05-28 US disclosed