Acetaldehyde

Acetaldehyde

SCHEMBL27798693

CC=O.COc1ccc(-c2ccccc2)cc1OC

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 2/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 2/20 0.53
TSHR P16473 2/20 0.53
ERN1 O75460 1/20 0.53
USP2 O75604 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
ATM Q13315 1/20 0.53
HSD17B10 Q99714 1/20 0.53
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ACACA Q13085 1/20 0.49
CYP1A1 P04798 1/20 0.49

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
SCHEMBL4533772 0.90 L3MBTL1 (0.62) L3MBTL1NPC1RAB9AKMT2AALDH1A1
SCHEMBL21247766 0.84 L3MBTL1 (0.53) L3MBTL1NPC1RAB9AKMT2AALDH1A1
SCHEMBL434623 0.84 L3MBTL1 (0.53) L3MBTL1NPC1RAB9AKMT2AALDH1A1
SCHEMBL4600135 0.80 ALDH1A1 (0.62) KMT2AALDH1A1MEN1KDM4ETSHR
SCHEMBL29869842 0.80 ALDH1A1 (0.58) L3MBTL1NPC1RAB9AKMT2AALDH1A1
SCHEMBL505528 0.80 ALDH1A1 (0.58) L3MBTL1NPC1RAB9AKMT2AALDH1A1
SCHEMBL16541896 0.80 PDE4A (0.57) L3MBTL1NPC1RAB9AKMT2AALDH1A1
SCHEMBL27684154 0.80 PDE4A (0.54) L3MBTL1NPC1RAB9AHPGDERN1
SCHEMBL8840880 0.79 PDE4A (0.67) L3MBTL1NPC1RAB9AKMT2AALDH1A1
SCHEMBL7218179 0.79 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDTSHRERN1

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
CN-101863867-B Derivatives of flavonoids compounds and preparation method and application thereof UNIV TSINGHUA GRADUATE SCHOOL 2012-07-18 CN disclosed
CN-101863867-A Derivatives of flavonoids compounds and preparation method and application thereof UNIV TSINGHUA GRADUATE SCHOOL 2010-10-20 CN disclosed