4-(Acetate)Acetophenone

4-(Acetate)Acetophenone

SCHEMBL30735795

CC(=O)Oc1ccc(C(C)=O)cc1.CC(=O)c1ccc(CC(=O)O)cc1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.55
ELANE P08246 1/20 0.54
HSD17B10 Q99714 2/20 0.53
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HTT P42858 1/20 0.51
GAA P10253 1/20 0.50
TMPRSS2 O15393 1/20 0.50
KLK1 P06870 1/20 0.50
PRSS1 P07477 1/20 0.50
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
MAOB P27338 2/20 0.49
RAB9A P51151 2/20 0.48
HPGD P15428 1/20 0.48
NPC1 O15118 1/20 0.48
GLA P06280 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL384743 0.91 GAA (0.57) SRD5A2ELANEHSD17B10ALDH1A1HTT
SCHEMBL11489461 0.90 GAA (0.55) SRD5A2ELANEHSD17B10ALDH1A1HTT
SCHEMBL1261820 0.86 KMT2A (0.64) SRD5A2HSD17B10KMT2AALDH1A1SMN1; SMN2
SCHEMBL29833587 0.85 LMNA (0.69) SRD5A2ELANEHSD17B10KMT2AALDH1A1
SCHEMBL2688206 0.84 KMT2A (0.70) ELANEHSD17B10KMT2AALDH1A1SMN1; SMN2
4-(Acetate)Acetophenone SCHEMBL1142839 0.84 MAPT (0.67) ELANEHSD17B10KMT2AALDH1A1SMN1; SMN2
SCHEMBL29674918 0.83 KMT2A (0.55) SRD5A2ELANEHSD17B10KMT2AGAA
SCHEMBL7735335 0.82 FFAR1 (0.54) SRD5A2HSD17B10ALDH1A1L3MBTL1GAA
4-(Acetate)Acetophenone SCHEMBL28047084 0.82 ELANE (0.64) ELANEHSD17B10KMT2AALDH1A1SMN1; SMN2
SCHEMBL407238 0.81 ESR1 (0.78) SRD5A2ELANEHSD17B10KMT2ASMN1; SMN2

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
CN-113061069-B Oxidative cleavage of compounds containing unsaturated double bonds 陈建添 2024-02-06 CN disclosed