SCHEMBL4615908

SCHEMBL4615908

COc1cc(O)c(OC)c(C=O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.59
TRIM24 O15164 1/20 0.59
TYR P14679 1/20 0.59
TRIM33 Q9UPN9 1/20 0.59
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
TDP1 Q9NUW8 2/20 0.48
CYP3A4 P08684 3/20 0.47
ALDH1A1 P00352 2/20 0.43
TUBB1 Q9H4B7 1/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTPN1 P18031 1/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TSHR P16473 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
SCHEMBL10728453 0.86 ERN1 (0.53) ERN1TRIM24TYRTRIM33CA1
SCHEMBL3645435 0.82 ERN1 (0.61) ERN1TRIM24TYRTRIM33CYP3A4
SCHEMBL28292328 0.82 ERN1 (0.61) ERN1TRIM24TYRTRIM33CYP3A4
SCHEMBL12311286 0.81 CYP3A4 (0.63) ERN1TRIM24TYRTRIM33CA1
SCHEMBL3637463 0.81 CA1 (0.55) ERN1TRIM24TYRTRIM33CA1
SCHEMBL28064053 0.81 ERN1 (0.58) ERN1TRIM24TYRTRIM33CA1
SCHEMBL7285302 0.79 ERN1 (0.62) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL2597207 0.79 ERN1 (0.58) ERN1TRIM24TYRTRIM33CA1
SCHEMBL29048895 0.79 ERN1 (0.58) ERN1TRIM24TYRTRIM33CA1
SCHEMBL18002725 0.79 CA1 (0.53) ERN1TRIM24TYRTRIM33CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879660-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-01-23 EP disclosed
EP-1858476-A1 METHOD FOR INCREASING THE COLOR INTENSITY OF COLORATIONS ON KERATIN-CONTAINING SUBSTRATES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-11-28 EP disclosed
WO-2007124857-A2 LIGHTENING AND/OR DYEING AGENTS CONTAINING A PLURALITY OF FORMIC ACID ESTERS AND/OR IMIDOFORMIC ACID ESTERS HENKEL AG & CO. KGAA (DE) 2007-11-08 WO disclosed
WO-2006119819-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-11-16 WO disclosed
WO-2006097158-A1 METHOD FOR INCREASING THE COLOR INTENSITY OF COLORATIONS ON KERATIN-CONTAINING SUBSTRATES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-09-21 WO disclosed