O-Acetylursolic Acid

O-Acetylursolic Acid

SCHEMBL22201012

CC(=O)O[C@H]1CC[C@]2(C)C3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 1.00
RECQL P46063 2/20 1.00
CETP P11597 6/20 0.80
USP2 O75604 3/20 0.75
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 0.75
HSD11B1 P28845 2/20 0.75
SLCO1B3 Q9NPD5 2/20 0.75
SLCO1B1 Q9Y6L6 2/20 0.75
LMNA P02545 2/20 0.75
PTPN1 P18031 2/20 0.75
AKR1B10 O60218 1/20 0.75
CTSD P07339 1/20 0.75
PTPRF P10586 1/20 0.75
CYP19A1 P11511 1/20 0.75
AKR1B1 P15121 1/20 0.75
PTPN2 P17706 1/20 0.75
CES1 P23141 1/20 0.75
ACP1 P24666 1/20 0.75
PTPN6 P29350 1/20 0.75

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
O-Acetylursolic Acid SCHEMBL23284101 1.00 POLB (1.00) POLBRECQLCETPUSP2MEN1
O-Acetylursolic Acid SCHEMBL22853927 1.00 POLB (1.00) POLBRECQLCETPUSP2MEN1
O-Acetylursolic Acid SCHEMBL10951133 1.00 POLB (1.00) POLBRECQLCETPUSP2MEN1
O-Acetylursolic Acid SCHEMBL827970 1.00 POLB (1.00) POLBRECQLCETPUSP2MEN1
O-Acetylursolic Acid SCHEMBL23793730 1.00 POLB (1.00) POLBRECQLCETPUSP2MEN1
SCHEMBL19472075 0.92 POLB (0.85) POLBRECQLCETPUSP2MEN1
SCHEMBL23793728 0.92 POLB (0.85) POLBRECQLCETPUSP2MEN1
SCHEMBL15713564 0.92 POLB (0.85) POLBRECQLCETPUSP2MEN1
SCHEMBL19472076 0.92 POLB (0.85) POLBRECQLCETPUSP2MEN1
SCHEMBL15163873 0.91 POLB (0.83) POLBRECQLCETPUSP2MEN1

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
EP-2571354-B1 Ursolic acid for inhibiting muscle atrophy UNIV IOWA RES FOUND (US) 2020-07-08 EP disclosed