Avocatin A

Avocatin A

SCHEMBL31368575

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 5/20 1.00
MAPT P10636 5/20 1.00
CYP3A4 P08684 4/20 1.00
ALDH1A1 P00352 4/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
HPGD P15428 1/20 1.00
MEN1 O00255 1/20 0.61
TP53 P04637 1/20 0.61
MAPK1 P28482 1/20 0.61
KMT2A Q03164 1/20 0.61
LMNA P02545 2/20 0.58
RECQL P46063 1/20 0.58
ABCC4 O15439 1/20 0.36
PLA2G2C Q5R387 1/20 0.35
CYP2C9 P11712 1/20 0.34
DGKA P23743 1/20 0.34
PRKCA P17252 1/20 0.34
LPAR2 Q9HBW0 2/20 0.34
LPAR3 Q9UBY5 2/20 0.34
LPAR1 Q92633 1/20 0.34

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
Avocatin A SCHEMBL10060809 1.00 USP2 (1.00) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2
Avocatin A SCHEMBL898834 1.00 USP2 (1.00) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2
Avocadyne Acetate SCHEMBL25216029 0.90 USP2 (1.00) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL15944389 0.86 USP2 (0.75) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL4948952 0.82 USP2 (0.70) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL20063076 0.81 USP2 (0.79) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL29497636 0.81 USP2 (0.67) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL13054629 0.81 USP2 (0.68) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL1965555 0.81 USP2 (0.68) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL27881284 0.81 USP2 (0.68) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2

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