SCHEMBL3828057

SCHEMBL3828057

[CH]=CC(O)CCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
TRPA1 O75762 1/20 0.50
DDAH1 O94760 1/20 0.50
GAPDH P04406 1/20 0.50
FFAR1 O14842 2/20 0.45
FFAR4 Q5NUL3 1/20 0.45
GPR84 Q9NQS5 8/20 0.45
SPHK1 Q9NYA1 2/20 0.45
LMNA P02545 2/20 0.44
CYP2D6 P10635 2/20 0.42
GMNN O75496 1/20 0.42
POLB P06746 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
BLM P54132 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CETP P11597 1/20 0.42

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
SCHEMBL10904527 1.00 MAPT (0.50) MAPTTRPA1DDAH1GAPDHFFAR1
SCHEMBL11517138 1.00 MAPT (0.50) MAPTTRPA1DDAH1GAPDHFFAR1
SCHEMBL22207201 1.00 MAPT (0.50) MAPTTRPA1DDAH1GAPDHFFAR1
SCHEMBL6085231 0.98
SCHEMBL6083215 0.98
SCHEMBL8901304 0.98
SCHEMBL11516038 0.90
SCHEMBL28354972 0.80 TRPA1 (0.65) MAPTTRPA1DDAH1GAPDHFFAR1
SCHEMBL12114194 0.80 TRPA1 (0.65) MAPTTRPA1DDAH1GAPDHFFAR1
SCHEMBL128900 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1986596-A1 SKIN-CALMING OXIDATIVE HAIR TREATMENT Henkel AG & Co. KGaA (DE) 2008-11-05 EP claimed
WO-2007096045-A1 SKIN-CALMING OXIDATIVE HAIR TREATMENT HENKEL AG & CO. KGAA (DE) 2007-08-30 WO claimed
EP-2044977-B1 Hair dye with oxidative pre-treatment HENKEL AG & CO KGAA (DE) 2018-02-14 EP disclosed
EP-2178492-B1 HAIR TREATMENT AGENT COMPRISING AN ACYLAMINO ACID DERIVATIVE, A HYDROXYALKYLAMINE, AND 2-(2-HYDROXYETHYL)-P-PHENYLENEDIAMINE HENKEL AG & CO KGAA (DE) 2016-12-14 EP disclosed
EP-2044977-A2 Hair dye with oxidative pre-treatment Henkel AG & Co. KGaA (DE) 2009-04-08 EP disclosed
EP-1986596-A1 SKIN-CALMING OXIDATIVE HAIR TREATMENT Henkel AG & Co. KGaA (DE) 2008-11-05 EP disclosed
EP-1986596-A1 SKIN-CALMING OXIDATIVE HAIR TREATMENT Henkel AG & Co. KGaA (DE) 2008-11-05 EP disclosed
WO-2007096045-A1 SKIN-CALMING OXIDATIVE HAIR TREATMENT HENKEL AG & CO. KGAA (DE) 2007-08-30 WO disclosed
WO-2007096045-A1 SKIN-CALMING OXIDATIVE HAIR TREATMENT HENKEL AG & CO. KGAA (DE) 2007-08-30 WO disclosed