SCHEMBL17166004

SCHEMBL17166004

CC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 9/20 0.85
▸ PTPN2 P17706 4/20 0.85
▸ F3 P13726 2/20 0.85
▸ PNLIP P16233 1/20 0.85
▸ NOS2 P35228 1/20 0.85
▸ CES1 P23141 3/20 0.76
▸ CES2 O00748 2/20 0.76
▸ RELA Q04206 3/20 0.66
▸ NFKB1 P19838 2/20 0.66
▸ NFKB2 Q00653 2/20 0.66
▸ EGLN2 Q96KS0 2/20 0.63
▸ EGLN1 Q9GZT9 2/20 0.63
▸ EGLN3 Q9H6Z9 2/20 0.63
▸ P4HTM Q9NXG6 2/20 0.63
▸ PSMB11 A5LHX3 1/20 0.60
▸ PSMA7 O14818 1/20 0.60
▸ AKR1B10 O60218 1/20 0.60
▸ PLA2G1B P04054 1/20 0.60
▸ POLB P06746 1/20 0.60
▸ PTPRC P08575 1/20 0.60

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 SCHEMBL16175546 0.92 PTPN2 (1.00) PTPN1PTPN2F3PNLIPNOS2
Oleanonic Acid SCHEMBL12313105 0.92 PTPN2 (1.00) PTPN1PTPN2F3PNLIPNOS2
Oleanonic Acid SCHEMBL12337276 0.92 PTPN2 (1.00) PTPN1PTPN2F3PNLIPNOS2
Oleanonic Acid SCHEMBL2762433 0.92 PTPN2 (1.00) PTPN1PTPN2F3PNLIPNOS2
Oleanonic Acid SCHEMBL6898284 0.92 PTPN2 (1.00) PTPN1PTPN2F3PNLIPNOS2
Oleanonic Acid SCHEMBL12200334 0.92 PTPN2 (1.00) PTPN1PTPN2F3PNLIPNOS2
Oleanonic Acid SCHEMBL246220 0.92 PTPN2 (1.00) PTPN1PTPN2F3PNLIPNOS2
Oleanonic Acid SCHEMBL18688313 0.92 PTPN2 (1.00) PTPN1PTPN2F3PNLIPNOS2
Oleanonic Acid SCHEMBL18687844 0.92 PTPN2 (1.00) PTPN1PTPN2F3PNLIPNOS2
SCHEMBL18687848 0.89 PTPN1 (0.81) PTPN1PTPN2F3PNLIPNOS2

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
US-9156801-B2 2-substituted oleanolic acid derivative, method preparing for same, and application thereof HANGZHOU BENSHENG PHARMACEUTICAL CO., LTD. (CN) 2015-10-13 — — US disclosed
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