Phenylacetaldehyde

Phenylacetaldehyde

SCHEMBL28519006

COC(=O)O.O=CCc1ccccc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ADH1B P00325 1/20 0.42
ADH1C P00326 1/20 0.42
ADH1A P07327 1/20 0.42
ADH7 P40394 1/20 0.42
ATM Q13315 2/20 0.41
MEN1 O00255 1/20 0.41
MGLL Q99685 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
AKR1B1 P15121 1/20 0.41

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 SCHEMBL29232774 0.90 ALDH1A1 (0.52) MAOBALDH1A1KMT2AMAPTL3MBTL1
Phenylacetaldehyde SCHEMBL20263675 0.85 ALDH1A1 (0.50) MAOBALDH1A1TSHRLMNACA1
Phenylacetaldehyde SCHEMBL11118870 0.84 MAOB (0.55) MAOBALDH1A1KMT2ATSHRLMNA
Allylbenzene SCHEMBL27781904 0.84 CYP3A4 (0.50) MAOBALDH1A1KMT2AL3MBTL1TSHR
Phenylacetaldehyde SCHEMBL28519985 0.82 SMN1; SMN2 (0.49) ALDH1A1KMT2AMAPTL3MBTL1TSHR
Phenylacetaldehyde SCHEMBL28638560 0.82 MAOB (0.52) MAOBALDH1A1KMT2AMAPTL3MBTL1
Phenylacetaldehyde SCHEMBL8531349 0.82 MAOB (0.57) MAOBALDH1A1KMT2ATSHRLMNA
Phenylacetaldehyde SCHEMBL31402006 0.82
Phenylacetaldehyde SCHEMBL3319438 0.82 MAOB (0.63) MAOBALDH1A1KMT2ATSHRCA1
Phenylacetaldehyde SCHEMBL18972 0.82

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