Phenylacetaldehyde

Phenylacetaldehyde

SCHEMBL7140654

CCCC.O=CCc1ccccc1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.52
TP53 P04637 1/20 0.48
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH7 P40394 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ARG2 P78540 1/20 0.40
KCNH2 Q12809 2/20 0.40
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CALM1 P0DP23 1/20 0.39
EPHX1 P07099 1/20 0.39

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 SCHEMBL8531349 0.90 MAOB (0.57) MAOBTP53ADH1BADH1CADH1A
Phenylacetaldehyde SCHEMBL3319438 0.89 MAOB (0.63) MAOBTP53ADH1BADH1CADH1A
Phenylacetaldehyde SCHEMBL31402006 0.89
Phenylacetaldehyde SCHEMBL31725265 0.89
Phenylacetaldehyde SCHEMBL18972 0.89
Phenylacetaldehyde SCHEMBL28274410 0.88 MAOB (0.50) MAOBTP53ADH1BADH1CADH1A
Phenylacetaldehyde SCHEMBL11118870 0.87 MAOB (0.55) MAOBTP53ADH1BADH1CADH1A
Phenylacetaldehyde SCHEMBL3115647 0.87 MAOB (0.60) MAOBTP53ADH1BADH1CADH1A
Phenylacetaldehyde SCHEMBL5803411 0.87 MAOB (0.60) MAOBTP53ADH1BADH1CADH1A
Phenylacetaldehyde SCHEMBL2461523 0.87 MAOB (0.60) MAOBTP53ADH1BADH1CADH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3509562-A1 AEROSOL COMPOSITIONS The Procter and Gamble Company (US) 2019-07-17 EP disclosed
EP-3356356-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 Senomyx, Inc. (US) 2018-08-08 EP disclosed
WO-2018048718-A1 AEROSOL COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2018-03-15 WO disclosed
US-20180066206-A1 SPRAY COMPOSITIONS, SPRAYABLE PRODUCTS, AND METHODS OF TREATING A SURFACE WITH THE SAME THE PROCTER & GAMBLE COMPANY 2018-03-08 US disclosed
EP-1309529-A1 FRAGRANCE COMPOUNDS QUEST INTERNATIONAL NEDERLAND BV (NL) 2003-05-14 EP disclosed
WO-2002014243-A1 NOVEL FRAGRANCE COMPOUNDS QUEST INTERNATIONAL B.V. (NL) 2002-02-21 WO disclosed