Acetophenone

Acetophenone

SCHEMBL9718967

C=Cc1ccccc1.CC(=O)c1ccccc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
TSHR P16473 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 3/20 0.52
KMT2A Q03164 3/20 0.49
AKT1 P31749 1/20 0.48
HPGD P15428 2/20 0.47
LMNA P02545 2/20 0.47
AKR1C3 P42330 1/20 0.45
GLA P06280 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45

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
Styrene SCHEMBL5858997 0.87 ALDH1A1 (0.70) ALDH1A1TSHRSMN1; SMN2MAPTAKT1
Styrene SCHEMBL10614939 0.87 ALDH1A1 (0.70) ALDH1A1TSHRSMN1; SMN2MAPTAKT1
Styrene SCHEMBL385100 0.87 ALDH1A1 (0.70) ALDH1A1TSHRSMN1; SMN2MAPTAKT1
Styrene SCHEMBL27529933 0.85 ALDH1A1 (0.67) ALDH1A1TSHRSMN1; SMN2MAPTAKT1
SCHEMBL273504 0.85 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTKMT2AHPGD
Styrene SCHEMBL27547420 0.85 ALDH1A1 (0.67) ALDH1A1TSHRSMN1; SMN2MAPTAKT1
Styrene SCHEMBL27318228 0.85 ALDH1A1 (0.67) ALDH1A1TSHRSMN1; SMN2MAPTAKT1
Styrene SCHEMBL6697336 0.85 ALDH1A1 (0.67) ALDH1A1TSHRSMN1; SMN2MAPTAKT1
Styrene SCHEMBL23406215 0.84 CES2 (0.69) ALDH1A1TSHRSMN1; SMN2MAPTKMT2A
Benzil SCHEMBL5013455 0.83 CES2 (0.64) ALDH1A1TSHRSMN1; SMN2MAPTAKT1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103724319-B The preparation method of a kind of benzothiophenes and purification method thereof 温州大学 2016-06-29 CN disclosed
CN-103724319-A Preparation method and purifying and extracting method for benzothiophene compounds UNIV WENZHOU 2014-04-16 CN disclosed
US-5162285-A Carbonylation of Rhodium Salts, Reaction with Ozone or Oxygen PRINCETON UNIVERSITY (US) 1992-11-10 US disclosed
US-5126490-A Rhodium carbonyl catalyst PRINCETON UNIVERSITY (US) 1992-06-30 US disclosed
US-4007320-A Process for reducing polymer build-up KEMANORD AKTIEBOLAG (SW) 1977-02-08 US disclosed