SCHEMBL4756893

SCHEMBL4756893

COc1c(C)c(C=O)cc(C(=O)O)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
MAPT P10636 1/20 0.46
ERN1 O75460 13/20 0.44
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TRIM24 O15164 1/20 0.37
TYR P14679 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
HMGB1 P09429 1/20 0.37
CXCL12 P48061 1/20 0.37
TLR2 O60603 1/20 0.37
TLR1 Q15399 1/20 0.37
TLR6 Q9Y2C9 1/20 0.37
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36

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
SCHEMBL4757882 0.81 ERN1 (0.45) TDP1MAPTERN1HSD17B10ALDH1A1
SCHEMBL4755047 0.80 MAPT (0.43) TDP1MAPTERN1CA1CA2
SCHEMBL10408221 0.80 ERN1 (0.47) TDP1ERN1CA1CA2ALDH1A1
SCHEMBL4757842 0.79 MAPT (0.42) TDP1MAPTERN1CA1CA2
SCHEMBL4755033 0.78 MAPT (0.41) TDP1MAPTERN1CA1CA2
SCHEMBL12143391 0.77 ERN1 (0.47) ERN1CA1CA2TRIM24TYR
SCHEMBL18677528 0.75 TDP1 (0.55) TDP1MAPTCA1CA2HSD17B10
SCHEMBL28172811 0.74 TDP1 (0.53) TDP1MAPTCA1CA2HSD17B10
SCHEMBL18419480 0.74 MAPT (0.62) TDP1MAPTCA1CA2HSD17B10
SCHEMBL23796830 0.73 ERN1 (0.50) ERN1CA1CA2TRIM24TYR

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
EP-1879661-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-01-23 EP claimed
WO-2006119821-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLCHAFT AUF AKTIEN (DE) 2006-11-16 WO claimed
EP-1879661-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-01-23 EP disclosed
WO-2006119821-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLCHAFT AUF AKTIEN (DE) 2006-11-16 WO disclosed