SCHEMBL6227217

SCHEMBL6227217

CC(=O)Oc1cc2ccccc2c(O)c1OC(C)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.54
▸ KDM4E B2RXH2 3/20 0.52
▸ GAA P10253 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ BLM P54132 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ APEX1 P27695 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ HSD17B10 Q99714 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ TOP1 P11387 3/20 0.47
▸ SLC22A6 Q4U2R8 1/20 0.44
▸ MAPK1 P28482 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ ITGB3 P05106 1/20 0.41

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
SCHEMBL8582319 0.87 KDM4E (0.59) HTTKDM4EGAAMAPTALDH1A1
SCHEMBL24955836 0.80 HTT (0.60) HTTKDM4EGAAMAPTALDH1A1
SCHEMBL4752091 0.79 KDM4E (0.54) HTTKDM4EGAAMAPTALDH1A1
SCHEMBL6142391 0.78 NCEH1 (0.51) HTTGAAMAPTKMT2ASLC22A6
SCHEMBL8076268 0.77 KDM4E (0.56) HTTKDM4EGAAMAPTALDH1A1
SCHEMBL9628302 0.77 HTT (0.47) HTTKDM4EGAAMAPTALDH1A1
SCHEMBL6906339 0.77 CA12 (0.55) HTTKDM4EGAAMAPTALDH1A1
SCHEMBL8782851 0.76 MAPT (0.49) HTTKDM4EGAAMAPTALDH1A1
SCHEMBL10895815 0.76 HTT (0.49) HTTKDM4EGAAMAPTALDH1A1
SCHEMBL7918996 0.76 HTT (0.75) HTTKDM4EGAAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1555993-A2 PERMANENT COLORING OF HAIR USING AN OXIDATION HAIR DYE PRECURSOR AND A METAL CYANATE UNILEVER PLC (GB) 2005-07-27 — — EP disclosed
WO-2004039341-A2 PERMANENT COLORING OF HAIR USING AN OXIDATION HAIR DYE PRECURSOR AND A METAL CYANATE UNILEVER PLC (GB) 2004-05-13 — — WO disclosed
WO-2003053386-A1 ENHANCED COLOUR DEPOSITION FOR HAIR WITH SEQUESTERING AGENTS UNILEVER PLC (GB) 2003-07-03 — — WO disclosed
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