Phenylacetaldehyde

Phenylacetaldehyde

SCHEMBL4640320

CCOC(=O)Cc1ccccc1.O=CCc1ccccc1

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MAPK1 P28482 1/20 0.56
PAM P19021 1/20 0.54
KMT2A Q03164 2/20 0.51
CYP4Z1 Q86W10 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
TSHR P16473 2/20 0.49
PPID Q08752 1/20 0.48
MEN1 O00255 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.46
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
LTA4H P09960 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL1873977 0.89 ALDH1A1 (0.68) ALDH1A1L3MBTL1MAPK1PAMKMT2A
SCHEMBL112999 0.89 ALDH1A1 (0.68) ALDH1A1L3MBTL1MAPK1PAMKMT2A
SCHEMBL1332625 0.89 ALDH1A1 (0.68) ALDH1A1L3MBTL1MAPK1PAMKMT2A
Benzene SCHEMBL28160801 0.89 ALDH1A1 (0.68) ALDH1A1L3MBTL1MAPK1PAMKMT2A
Phenylacetaldehyde SCHEMBL28240240 0.88 PPID (0.49) KMT2ASMN1; SMN2TSHRPPIDMEN1
Ammonia Solution, Strong SCHEMBL27681752 0.88 ALDH1A1 (0.66) ALDH1A1L3MBTL1MAPK1PAMKMT2A
Water SCHEMBL27679105 0.88 ALDH1A1 (0.66) ALDH1A1L3MBTL1MAPK1PAMKMT2A
Hydrochloric Acid SCHEMBL28243605 0.88 ALDH1A1 (0.66) ALDH1A1L3MBTL1MAPK1PAMKMT2A
Benzaldehyde SCHEMBL8143477 0.87 ALDH1A1 (0.56) ALDH1A1L3MBTL1MAPK1PAMKMT2A
Phosphonic Acid SCHEMBL27623529 0.86 ALDH1A1 (0.59) ALDH1A1L3MBTL1MAPK1PAMKMT2A

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-1954796-A1 IMPROVEMENTS RELATING TO FABRIC TREATMENT COMPOSITIONS UNILEVER PLC (GB) 2008-08-13 EP disclosed
WO-2007062833-A1 IMPROVEMENTS RELATING TO FABRIC TREATMENT COMPOSITIONS UNILEVER PLC (GB) 2007-06-07 WO disclosed