Phenylacetaldehyde

Phenylacetaldehyde

SCHEMBL28519985

CCOC(=O)O.O=CCc1ccccc1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MMP8 P22894 2/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 2/20 0.44
ALDH1A1 P00352 3/20 0.44
PPID Q08752 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RECQL P46063 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NR1H4 Q96RI1 1/20 0.42
PIN1 Q13526 1/20 0.42

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
Phenylacetaldehyde SCHEMBL28240240 0.86 PPID (0.49) SMN1; SMN2KMT2AMEN1TSHRPPID
Phenylacetaldehyde SCHEMBL4640320 0.84 ALDH1A1 (0.56) SMN1; SMN2KMT2AMEN1TSHRMAPT
Phenylacetaldehyde SCHEMBL28519006 0.82 MAOB (0.44) KMT2AMEN1TSHRMAPTALDH1A1
Phenylacetaldehyde SCHEMBL28515879 0.81 ALDH1A1 (0.50) SMN1; SMN2KMT2AMEN1TSHRMAPT
Phenylacetaldehyde SCHEMBL2322701 0.80 MAOB (0.46) SMN1; SMN2KMT2AMEN1TSHRALDH1A1
Phenylacetaldehyde SCHEMBL28008520 0.80 AKR1B1 (0.48) SMN1; SMN2ALDH1A1LMNA
Phenylacetaldehyde SCHEMBL28274410 0.80 MAOB (0.50) KMT2AMEN1TSHRALDH1A1LMNA
Phenylacetaldehyde SCHEMBL20263675 0.80 ALDH1A1 (0.50) SMN1; SMN2TSHRALDH1A1LMNA
Phenylacetaldehyde SCHEMBL11118870 0.80 MAOB (0.55) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL28519984 0.79 L3MBTL1 (0.50) SMN1; SMN2KMT2AMEN1MMP8TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109111537-B Catalyst component for olefin polymerization and catalyst thereof 中国石油化工股份有限公司 2021-03-16 CN disclosed
CN-109111539-B Catalyst component for olefin polymerization and catalyst thereof 中国石油化工股份有限公司 2021-02-05 CN disclosed
CN-109111538-B Catalyst component for olefin polymerization and catalyst thereof 中国石油化工股份有限公司 2021-02-05 CN disclosed