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Avocadyne Acetate

Avocadyne Acetate

SCHEMBL25216029

C#CCCCCCCCCCCCC(O)CC(O)COC(C)=O.C=CCCCCCCCCCCCC(O)CC(O)COC(C)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 6/20 1.00
▸ CYP3A4 P08684 5/20 0.81
▸ MAPT P10636 4/20 0.81
▸ ALDH1A1 P00352 4/20 0.81
▸ SMN1; SMN2 Q16637 3/20 0.81
▸ HPGD P15428 2/20 0.81
▸ MEN1 O00255 1/20 0.81
▸ TP53 P04637 1/20 0.81
▸ MAPK1 P28482 1/20 0.81
▸ KMT2A Q03164 1/20 0.81
▸ LMNA P02545 2/20 0.49
▸ RECQL P46063 1/20 0.49
▸ ALOX5 P09917 3/20 0.32
▸ CNR1 P21554 2/20 0.31
▸ CNR2 P34972 2/20 0.31
▸ CYP2C9 P11712 1/20 0.30
▸ KDM4E B2RXH2 1/20 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
Avocatin A SCHEMBL898834 0.90 USP2 (1.00) USP2CYP3A4MAPTALDH1A1SMN1; SMN2
Avocatin A SCHEMBL10060809 0.90 USP2 (1.00) USP2CYP3A4MAPTALDH1A1SMN1; SMN2
Avocatin A SCHEMBL31368575 0.90 USP2 (1.00) USP2CYP3A4MAPTALDH1A1SMN1; SMN2
Avocadyne Acetate SCHEMBL12235379 0.90 USP2 (1.00) USP2CYP3A4MAPTALDH1A1SMN1; SMN2
SCHEMBL20072469 0.90 USP2 (1.00) USP2CYP3A4MAPTALDH1A1SMN1; SMN2
Avocadyne Acetate SCHEMBL12235380 0.90 USP2 (1.00) USP2CYP3A4MAPTALDH1A1SMN1; SMN2
Avocadyne Acetate SCHEMBL31368571 0.90 USP2 (1.00) USP2CYP3A4MAPTALDH1A1SMN1; SMN2
Avocadyne Acetate SCHEMBL1164203 0.90 USP2 (1.00) USP2CYP3A4MAPTALDH1A1SMN1; SMN2
SCHEMBL20248050 0.85 USP2 (0.76) USP2CYP3A4MAPTALDH1A1SMN1; SMN2
SCHEMBL20063072 0.85 USP2 (0.76) USP2CYP3A4MAPTALDH1A1SMN1; 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-2023086388-A1 COMPOSITIONS AND METHODS FOR TREATING BLEEDING AND BLEEDING DISORDERS YewSavin, Inc. (US) 2023-05-19 — — WO disclosed