Avocadyne Acetate

Avocadyne Acetate

SCHEMBL31368571

C#CCCCCCCCCCCC[C@@H](O)C[C@@H](O)COC(C)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 6/20 1.00
CYP3A4 P08684 4/20 1.00
MAPT P10636 4/20 1.00
ALDH1A1 P00352 3/20 1.00
MEN1 O00255 1/20 1.00
TP53 P04637 1/20 1.00
MAPK1 P28482 1/20 1.00
KMT2A Q03164 1/20 1.00
SMN1; SMN2 Q16637 3/20 0.61
HPGD P15428 2/20 0.61
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
ALOX5 P09917 3/20 0.32
GPR84 Q9NQS5 2/20 0.30

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
Avocadyne Acetate SCHEMBL1164203 1.00 USP2 (1.00) USP2CYP3A4MAPTALDH1A1MEN1
Avocadyne Acetate SCHEMBL12235380 1.00 USP2 (1.00) USP2CYP3A4MAPTALDH1A1MEN1
Avocadyne Acetate SCHEMBL12235379 1.00 USP2 (1.00) USP2CYP3A4MAPTALDH1A1MEN1
SCHEMBL20072469 1.00 USP2 (1.00) USP2CYP3A4MAPTALDH1A1MEN1
Avocadyne Acetate SCHEMBL25216029 0.90 USP2 (1.00) USP2CYP3A4MAPTALDH1A1MEN1
SCHEMBL20072187 0.89 USP2 (0.80) USP2CYP3A4MAPTALDH1A1MEN1
SCHEMBL20072443 0.88 USP2 (0.79) USP2CYP3A4MAPTALDH1A1MEN1
SCHEMBL20248050 0.86 USP2 (0.76) USP2CYP3A4MAPTALDH1A1MEN1
SCHEMBL20063072 0.86 USP2 (0.76) USP2CYP3A4MAPTALDH1A1MEN1
SCHEMBL20072326 0.86 USP2 (0.75) USP2CYP3A4MAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024263996-A2 COMPOUNDS AND METHODS FOR TREATING AGAINST NEMATODE INFECTIONS AND METHODS FOR COMPOUND DISCOVERY FOR SAME NEW YORK UNIVERSITY (US) 2024-12-26 WO disclosed