Ecabet

Ecabet

SCHEMBL6546246

CC(C)c1cc2c(cc1S(=O)(=O)O)C1(C)CCCC(C)(C(=O)O)[C@@H]1CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 1.00
OPRK1 P41145 1/20 1.00
MMP3 P08254 7/20 0.63
MMP8 P22894 7/20 0.63
MMP9 P14780 6/20 0.63
KARS1 Q15046 3/20 0.62
RXRA P19793 1/20 0.62
CCNE1 P24864 1/20 0.62
CDK2 P24941 1/20 0.62
RXRB P28702 1/20 0.62
RXRG P48443 1/20 0.62
POLA1 P09884 4/20 0.56
POLB P06746 1/20 0.56
APEX1 P27695 1/20 0.56
PDE4D Q08499 1/20 0.56
LMNA P02545 1/20 0.51
CYP3A4 P08684 1/20 0.51

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
Ecabet SCHEMBL8614405 1.00 NR1I2 (1.00) NR1I2OPRK1MMP3MMP8MMP9
Ecabet SCHEMBL373030 1.00 NR1I2 (1.00) NR1I2OPRK1MMP3MMP8MMP9
Ecabet SCHEMBL29727401 1.00 NR1I2 (1.00) NR1I2OPRK1MMP3MMP8MMP9
Ecabet SCHEMBL10938701 0.99 NR1I2 (0.98) NR1I2OPRK1MMP3MMP8MMP9
Ecabet SCHEMBL10937325 0.99 NR1I2 (0.98) NR1I2OPRK1MMP3MMP8MMP9
Ecabet SCHEMBL10935989 0.99 NR1I2 (0.98) NR1I2OPRK1MMP3MMP8MMP9
Ecabet SCHEMBL437091 0.99 NR1I2 (0.98) NR1I2OPRK1MMP3MMP8MMP9
Ecabet SCHEMBL10937322 0.99 NR1I2 (0.98) NR1I2OPRK1MMP3MMP8MMP9
Ecabet SCHEMBL7615516 0.99 NR1I2 (0.98) NR1I2OPRK1MMP3MMP8MMP9
Ecabet SCHEMBL10938694 0.99 NR1I2 (0.98) NR1I2OPRK1MMP3MMP8MMP9

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-1380294-A1 PREVENTIVE/REMEDIAL AGENT FOR INFLAMMATORY DISEASE IN ORAL-CAVITY MUCOSA AND THE LIKE TANABE SEIYAKU CO., LTD. (JP) 2004-01-14 EP disclosed