SCHEMBL6096211

SCHEMBL6096211

CC(=O)NCCNC(=O)C=Cc1cc(O)ccc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PELI1 Q96FA3 3/20 0.51
LY96 Q9Y6Y9 1/20 0.44
SNCA P37840 1/20 0.43
BACE1 P56817 1/20 0.42
KDM4E B2RXH2 2/20 0.41
F13A1 P00488 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
MMP1 P03956 1/20 0.40

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
SCHEMBL6096206 1.00 PELI1 (0.51) PELI1LY96SNCABACE1KDM4E
SCHEMBL6098062 0.88 PELI1 (0.65) PELI1LY96SNCABACE1ALDH1A1
SCHEMBL6098058 0.88 PELI1 (0.65) PELI1LY96SNCABACE1ALDH1A1
SCHEMBL6139078 0.88 LY96 (0.45) PELI1LY96MEN1HPGDKMT2A
SCHEMBL6139076 0.88 LY96 (0.45) PELI1LY96MEN1HPGDKMT2A
Hydrochloric Acid SCHEMBL6139342 0.86 LY96 (0.44) PELI1LY96MEN1HPGDKMT2A
Hydrochloric Acid SCHEMBL6139337 0.86 LY96 (0.44) PELI1LY96MEN1HPGDKMT2A
SCHEMBL6096826 0.86 PELI1 (0.50) PELI1SNCABACE1BCHEACHE
SCHEMBL6096824 0.86 PELI1 (0.50) PELI1SNCABACE1BCHEACHE
SCHEMBL6095927 0.85 PELI1 (0.51) PELI1SNCABACE1KDM4EALDH1A1

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
US-7070626-B2 (P-amino-hydroxyphenyl)-acrylamide derivatives and dyes containing said compounds WELLA AG (DE) 2006-07-04 US disclosed
CN-1205179-C (P-aminohydroxyphenyl) acrylamide derivatives and coloring agents containing the same P & G CLAROLL CORP (US) 2005-06-08 CN disclosed
EP-1286953-B1 (P-AMINO-HYDROXYPHENYL)-ACRYLAMIDE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-02-18 EP disclosed
CN-1437578-A (P-amino-hyaroxyphenyl)-acrylamide derivatives and dyes containing said compounds WELLA AG (DE) 2003-08-20 CN disclosed
EP-1286953-A1 (P-AMINO-HYDROXYPHENYL)-ACRYLAMIDE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2003-03-05 EP disclosed
WO-2002079144-A1 (P-AMINO-HYDROXYPHENYL)-ACRYLAMIDE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-10-10 WO disclosed