Katonic Acid

Katonic Acid

SCHEMBL8897742

CC1(C(=O)O)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 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 1.00
CES2 O00748 3/20 1.00
ALOX5 P09917 3/20 1.00
USP2 O75604 2/20 0.77
MAPK1 P28482 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
PTPN1 P18031 4/20 0.71
POLB P06746 3/20 0.71
PTPN2 P17706 3/20 0.71
PSMB11 A5LHX3 2/20 0.71
PSMA7 O14818 2/20 0.71
AKR1B10 O60218 2/20 0.71
PLA2G1B P04054 2/20 0.71
PTPRC P08575 2/20 0.71
PTPRF P10586 2/20 0.71
F3 P13726 2/20 0.71
PSMB1 P20618 2/20 0.71
ACP1 P24666 2/20 0.71
PSMA1 P25786 2/20 0.71
PSMA2 P25787 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
Katonic Acid SCHEMBL13144264 1.00 CES1 (1.00) CES1CES2ALOX5USP2MAPK1
Katonic Acid SCHEMBL11179650 1.00 CES1 (1.00) CES1CES2ALOX5USP2MAPK1
Katonic Acid SCHEMBL29148513 1.00 CES1 (1.00) CES1CES2ALOX5USP2MAPK1
Katonic Acid SCHEMBL30208585 1.00 CES1 (1.00) CES1CES2ALOX5USP2MAPK1
Katonic Acid SCHEMBL13144259 1.00 CES1 (1.00) CES1CES2ALOX5USP2MAPK1
Katonic Acid SCHEMBL14071724 1.00 CES1 (1.00) CES1CES2ALOX5USP2MAPK1
Katonic Acid SCHEMBL1785482 1.00 CES1 (1.00) CES1CES2ALOX5USP2MAPK1
Katonic Acid SCHEMBL14071729 1.00 CES1 (1.00) CES1CES2ALOX5USP2MAPK1
Katonic Acid SCHEMBL15475219 1.00 CES1 (1.00) CES1CES2ALOX5USP2MAPK1
Epikatonic Acid SCHEMBL28080793 1.00 CES1 (1.00) CES1CES2ALOX5USP2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5624909-A Derivatives of triterpenoid acids as inhibitors of cell-adhesion molecules ELAM-1 (e-selectin) and LECAM-1 (l-selectin) GLYCOMED INCORPORATED (US) 1997-04-29 US disclosed
EP-0691813-A4 DERIVATIVES OF TRITERPENOID ACIDS AS INHIBITORS OF CELL-ADHESION MOLECULES ELAM-1 (E-SELECTIN) AND LECAM-1 (L-SELECTIN) GLYCOMED INC (US) 1996-08-07 EP disclosed
US-5519008-A Derivatives of triterpenoid acids as inhibitors of cell-adhesion molecules ELAM-1 (E-selectin) and LECAM-1 (L-selectin) GLYCOMED INCORPORATED (US) 1996-05-21 US disclosed
EP-0691813-A1 DERIVATIVES OF TRITERPENOID ACIDS AS INHIBITORS OF CELL-ADHESION MOLECULES ELAM-1 (E-SELECTIN) AND LECAM-1 (L-SELECTIN) GLYCOMED INCORPORATED (US) 1996-01-17 EP disclosed
WO-1994005152-A1 DERIVATIVES OF TRITERPENOID ACIDS AS INHIBITORS OF CELL-ADHESION MOLECULES ELAM-1 (E-SELECTIN) AND LECAM-1 (L-SELECTIN) GLYCOMED INCORPORATED (US) 1994-03-17 WO disclosed
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