SCHEMBL4755047

SCHEMBL4755047

CCc1c(C=O)cc(C(=O)O)c(O)c1OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ERN1 O75460 13/20 0.41
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.35
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
TRIM24 O15164 1/20 0.34
TYR P14679 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
HMGB1 P09429 1/20 0.34
CXCL12 P48061 1/20 0.34
TLR2 O60603 1/20 0.34
TLR1 Q15399 1/20 0.34
TLR6 Q9Y2C9 1/20 0.34

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
SCHEMBL4757842 0.87 MAPT (0.42) MAPTTDP1ERN1CA1CA2
SCHEMBL4755033 0.86 MAPT (0.41) MAPTTDP1ERN1CA1CA2
SCHEMBL9688193 0.86 ERN1 (0.38) MAPTTDP1ERN1CA1CA2
SCHEMBL9687459 0.86 ERN1 (0.38) MAPTTDP1ERN1CA1CA2
SCHEMBL9687013 0.86 ERN1 (0.38) MAPTTDP1ERN1CA1CA2
Potassium Ion SCHEMBL9686356 0.86 ERN1 (0.38) MAPTTDP1ERN1CA1CA2
SCHEMBL1940680 0.81 ERN1 (0.44) MAPTERN1CA1CA2LMNA
SCHEMBL4757726 0.80 HMGB1 (0.40) MAPTTDP1ERN1HSD17B10PTPN2
SCHEMBL4756893 0.80 TDP1 (0.46) MAPTTDP1ERN1CA1CA2
SCHEMBL14542987 0.78 ERN1 (0.37) MAPTERN1CA1CA2LMNA

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 2 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