SCHEMBL7413638

SCHEMBL7413638

COc1ccc(C=O)c(O)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 13/20 0.48
TRIM24 O15164 1/20 0.46
TYR P14679 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
TLR2 O60603 1/20 0.42
TLR1 Q15399 1/20 0.42
TLR6 Q9Y2C9 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NNMT P40261 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL14032801 0.80 NNMT (0.50) ERN1TRIM24TYRTRIM33POLB
SCHEMBL29935910 0.80 NNMT (0.50) ERN1TRIM24TYRTRIM33POLB
SCHEMBL23046187 0.78 ERN1 (0.42) ERN1TRIM24TYRTRIM33TLR2
SCHEMBL29952654 0.78 ERN1 (0.52) ERN1TRIM24TYRTRIM33POLB
SCHEMBL1534756 0.78 ERN1 (0.52) ERN1TRIM24TYRTRIM33POLB
SCHEMBL28153665 0.78 ERN1 (0.46) ERN1TRIM24TYRTRIM33TLR2
SCHEMBL10322362 0.77 ERN1 (0.41) ERN1TRIM24TYRTRIM33TLR2
SCHEMBL15228338 0.77 ALDH1A1 (0.45) ERN1TRIM24TYRTRIM33POLB
SCHEMBL21327305 0.77 ERN1 (0.41) ERN1TRIM24TYRTRIM33TLR2
SCHEMBL6792316 0.77 ERN1 (0.42) ERN1TRIM24TYRTRIM33POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6169092-B1 ANTIINFLAMMATORY AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2001-01-02 US disclosed
WO-2000069844-A1 OLIGOHYDROXYL SUBSTITUTED BENZOFURAN-3-YL AND PYRIDOFURANYLUREA DERIVATIVES AS PHOSPHODIESTERASE IV INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2000-11-23 WO disclosed
EP-0912578-A1 3-UREIDO-PYRIDOFURANS AND -PYRIDOTHIOPHENES FOR THE TREATMENT OF INFLAMMATORY PROCESSES BAYER AG (DE) 1999-05-06 EP disclosed
WO-1998002440-A1 3-UREIDO-PYRIDOFURANS AND -PYRIDOTHIOPHENES FOR THE TREATMENT OF INFLAMMATORY PROCESSES BAYER AKTIENGESELLSCHAFT (DE) 1998-01-22 WO disclosed