Katonic Acid Methyl Ester

Katonic Acid Methyl Ester

SCHEMBL9525636

COC(=O)C1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)[C@@H]2C1

nearest known ligand 0.82

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.82
CES2 O00748 3/20 0.82
ALOX5 P09917 3/20 0.81
USP2 O75604 2/20 0.73
PTPN1 P18031 6/20 0.72
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
POLB P06746 3/20 0.62
PTPN2 P17706 3/20 0.62
PSMB11 A5LHX3 2/20 0.62
PSMA7 O14818 2/20 0.62
AKR1B10 O60218 2/20 0.62
PLA2G1B P04054 2/20 0.62
PTPRC P08575 2/20 0.62
PTPRF P10586 2/20 0.62
F3 P13726 2/20 0.62
PSMB1 P20618 2/20 0.62
ACP1 P24666 2/20 0.62
PSMA1 P25786 2/20 0.62
PSMA2 P25787 2/20 0.62

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
Katonic Acid Methyl Ester SCHEMBL24212353 1.00 CES1 (0.82) CES1CES2ALOX5USP2PTPN1
Katonic Acid Methyl Ester SCHEMBL15513664 1.00 CES1 (0.82) CES1CES2ALOX5USP2PTPN1
Katonic Acid Methyl Ester SCHEMBL9525631 1.00 CES1 (0.82) CES1CES2ALOX5USP2PTPN1
SCHEMBL417930 0.90 CES1 (0.77) CES1CES2ALOX5USP2PTPN1
SCHEMBL1050528 0.90 PTPN1 (0.78) CES1CES2ALOX5USP2PTPN1
SCHEMBL24627172 0.90 PTPN1 (0.78) CES1CES2ALOX5USP2PTPN1
Katonic Acid SCHEMBL14071729 0.89 CES1 (1.00) CES1CES2ALOX5USP2PTPN1
Katonic Acid SCHEMBL8897742 0.89 CES1 (1.00) CES1CES2ALOX5USP2PTPN1
Katonic Acid SCHEMBL1785482 0.89 CES1 (1.00) CES1CES2ALOX5USP2PTPN1
Katonic Acid SCHEMBL13144259 0.89 CES1 (1.00) CES1CES2ALOX5USP2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0272478-B1 GLYCYRRHETIC ACID DERIVATIVES AND USE THEREOF SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1993-01-20 EP disclosed
US-4871740-A ANTIULCER AGENT; REDUCTION OF SIDE EFFECTS FROM STEROIDS SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1989-10-03 US disclosed
EP-0272478-A1 Glycyrrhetic acid derivatives and use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1988-06-29 EP disclosed