SCHEMBL6572453

SCHEMBL6572453

COCCN(CCOC)c1ccc(N)cc1-c1ccc(OC)c(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
AOC3 Q16853 1/20 0.36
MAPT P10636 3/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP19A1 P11511 2/20 0.35
CRHR1 P34998 3/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 2/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL6573059 0.87 HDAC4 (0.40) HDAC4HDAC2HDAC8AOC3MAPT
SCHEMBL6570817 0.82 HDAC4 (0.39) HDAC4HDAC2HDAC8AOC3MAPT
SCHEMBL6573046 0.82 HTR7 (0.44) MAPTGAACRHR1MAPK1HTT
SCHEMBL6572154 0.81 MEN1 (0.47) MAPTGAAKDM4ECRHR1HTT
SCHEMBL6571582 0.81 GAA (0.40) MAPTGAAKDM4ECRHR1MAPK1
SCHEMBL6573255 0.81 CRHR1 (0.36) MAPTGAAKDM4ECRHR1MAPK1
SCHEMBL6571815 0.80 GAA (0.36) MAPTGAAKDM4ECRHR1TSHR
SCHEMBL6572020 0.79 CRHR1 (0.39) MAPTGAAKDM4ECRHR1MAPK1
SCHEMBL6574535 0.78 FDPS (0.43) MAPTCYP19A1HTTTSHRALDH1A1
SCHEMBL6572443 0.77 AOC3 (0.36) HDAC4HDAC2HDAC8AOC3MAPT

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-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP claimed
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP disclosed
US-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed
EP-1051143-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES Wella Aktiengesellschaft (DE) 2000-11-15 EP disclosed
WO-1999059527-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed