SCHEMBL6679326

SCHEMBL6679326

CC1=NN(CCO)C(=O)/C1=C/c1c(C)nn(CCO)c1O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.35
▸ MAPT P10636 5/20 0.35
▸ GAA P10253 2/20 0.35
▸ HTT P42858 1/20 0.34
▸ MEN1 O00255 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ ALPL P05186 1/20 0.31
▸ ALPI P09923 1/20 0.31
▸ ALPG P10696 1/20 0.31
▸ MAPK8 P45983 1/20 0.30

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
SCHEMBL7866881 0.91 MAPT (0.31) ALDH1A1MAPTGAAMEN1HPGD
SCHEMBL7866883 0.91 MAPT (0.31) ALDH1A1MAPTGAAMEN1HPGD
SCHEMBL6679186 0.85 ALDH1A1 (0.32) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL7710899 0.85 ALDH1A1 (0.34) ALDH1A1MAPTGAAHTTMEN1
SCHEMBL6684874 0.83 HTT (0.30) HTT
SCHEMBL26579330 0.82 ALDH1A1 (0.32) ALDH1A1MAPTGAAMEN1HPGD
SCHEMBL6657987 0.72 ALDH1A1 (0.53) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL6657924 0.68 MAPT (0.57) ALDH1A1MAPTGAAHTTMEN1
SCHEMBL6657919 0.68 MAPT (0.57) ALDH1A1MAPTGAAHTTMEN1
SCHEMBL22313958 0.68 ALDH1A1 (0.33) ALDH1A1MAPTHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1033965-B1 AGENTS AND METHOD FOR PRODUCING SEMI-PERMANENT COLORATIONS OF KERATIN FIBERS WELLA AG (DE) 2004-11-24 — — EP claimed
EP-0980236-B1 COLOURANT AND METHOD FOR PRODUCING TEMPORARY HAIR COLOURS WELLA AG (DE) 2003-04-23 — — EP claimed
EP-1033965-B1 AGENTS AND METHOD FOR PRODUCING SEMI-PERMANENT COLORATIONS OF KERATIN FIBERS WELLA AG (DE) 2004-11-24 — — EP disclosed
EP-0980236-B1 COLOURANT AND METHOD FOR PRODUCING TEMPORARY HAIR COLOURS WELLA AG (DE) 2003-04-23 — — EP disclosed
US-6361571-B1 USING TAUTOMERIC NONOXIDATIVE DYES AND POLYMETHINE DYES WELLA AKTIENGESELLSCHAFT (DE) 2002-03-26 — — US disclosed
US-6312478-B1 TWO COMPONENT KIT; ONE COMPONENT IS A COLORANT COMPRISING A MONOMETHINE OR POLYMETHINE DYE; SECOND COMPONENT CONSISTING OF A DECOLORIZING AGENT WELLA AKTIENGESELLSCHAFT (DE) 2001-11-06 — — US disclosed
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