Oleanonic Acid

Oleanonic Acid

SCHEMBL16175546

CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC43C)C2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN2 P17706 7/20 1.00
▸ PTPN1 P18031 7/20 1.00
▸ F3 P13726 3/20 1.00
▸ PNLIP P16233 1/20 1.00
▸ NOS2 P35228 1/20 1.00
▸ CES1 P23141 4/20 0.76
▸ CES2 O00748 2/20 0.76
▸ RELA Q04206 3/20 0.72
▸ NFKB1 P19838 1/20 0.72
▸ NFKB2 Q00653 1/20 0.72
▸ POLB P06746 3/20 0.71
▸ AKR1B10 O60218 3/20 0.71
▸ GPBAR1 Q8TDU6 3/20 0.71
▸ PSMB11 A5LHX3 2/20 0.71
▸ PSMA7 O14818 2/20 0.71
▸ PLA2G1B P04054 2/20 0.71
▸ PTPRC P08575 2/20 0.71
▸ PTPRF P10586 2/20 0.71
▸ PSMB1 P20618 2/20 0.71
▸ ACP1 P24666 2/20 0.71

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
Oleanonic Acid SCHEMBL12200334 1.00 PTPN2 (1.00) PTPN2PTPN1F3PNLIPNOS2
Oleanonic Acid SCHEMBL12313105 1.00 PTPN2 (1.00) PTPN2PTPN1F3PNLIPNOS2
Oleanonic Acid SCHEMBL18687844 1.00 PTPN2 (1.00) PTPN2PTPN1F3PNLIPNOS2
Oleanonic Acid SCHEMBL18688313 1.00 PTPN2 (1.00) PTPN2PTPN1F3PNLIPNOS2
Oleanonic Acid SCHEMBL246220 1.00 PTPN2 (1.00) PTPN2PTPN1F3PNLIPNOS2
Oleanonic Acid SCHEMBL12337276 1.00 PTPN2 (1.00) PTPN2PTPN1F3PNLIPNOS2
Oleanonic Acid SCHEMBL2762433 1.00 PTPN2 (1.00) PTPN2PTPN1F3PNLIPNOS2
Oleanonic Acid SCHEMBL6898284 1.00 PTPN2 (1.00) PTPN2PTPN1F3PNLIPNOS2
SCHEMBL17166004 0.92 PTPN1 (0.85) PTPN2PTPN1F3PNLIPNOS2
SCHEMBL16152971 0.89 PTPN1 (0.81) PTPN2PTPN1F3PNLIPNOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576586-B1 C-28 AMIDES OF MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-08-12 — — EP disclosed
EP-2712863-B1 Novel inhibitors of bacterial biofilms and related methods SEQUOIA SCIENCES INC (US) 2014-10-22 — — EP disclosed
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