SCHEMBL2338587

SCHEMBL2338587

Nc1cccc(O)c1OCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALOX15 P16050 2/20 0.41
ALDH1A1 P00352 3/20 0.41
RECQL P46063 2/20 0.41
IDO1 P14902 1/20 0.41
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
GAA P10253 2/20 0.35
LMNA P02545 2/20 0.35
JAK2 O60674 1/20 0.35
MAPT P10636 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL5782237 0.88 ALDH1A1 (0.46) TSHRALOX15ALDH1A1RECQLIDO1
SCHEMBL307639 0.81 CYP1A2 (0.43) TSHRALOX15ALDH1A1RECQLIDO1
SCHEMBL10629757 0.79 ALDH1A1 (0.49) TSHRALDH1A1RECQLLMNAMAPT
SCHEMBL12987934 0.79 ALDH1A1 (0.39) TSHRALDH1A1RECQLIDO1GAA
SCHEMBL7642441 0.79 TSHR (0.49) TSHRALDH1A1LMNAMAPTSLC6A3
SCHEMBL8368458 0.78 LMNA (0.50) TSHRALOX15ALDH1A1RECQLIDO1
SCHEMBL27600000 0.78 ALDH1A1 (0.48) TSHRALOX15ALDH1A1GAAMAPT
SCHEMBL11649878 0.77 IDO1 (0.50) TSHRALDH1A1RECQLIDO1HTR1A
SCHEMBL10633020 0.77 SMN1; SMN2 (0.56) TSHRALDH1A1L3MBTL1DHPSTDP1
SCHEMBL8671897 0.74 IDO1 (0.39) TSHRALOX15ALDH1A1RECQLIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358333-A1 COATED COLORING AGENTS Henkel AG & Co. KGaA (DE) 2011-08-24 EP disclosed
WO-2010069855-A1 COATED COLORING AGENTS HENKEL AG & CO. KGAA (DE) 2010-06-24 WO disclosed
WO-2010066723-A1 HAIR DYE COMPRISING COCOA BUTTER HENKEL AG & CO. KGAA (DE) 2010-06-17 WO disclosed
EP-2037870-A1 HAIR COLORING AGENT Henkel AG & Co. KGaA (DE) 2009-03-25 EP disclosed
WO-2008006820-A1 HAIR COLORING AGENT HENKEL AG & CO. KGAA (DE) 2008-01-17 WO disclosed
EP-1263400-A1 USE OF CATIONIC PROTEIN HYDROLYSATES Hans Schwarzkopf GmbH & Co. KG (DE) 2002-12-11 EP disclosed
WO-2002045665-A1 NOVEL USE OF POLYHYDROXY COMPOUNDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-06-13 WO disclosed
WO-2001064173-A1 USE OF CATIONIC PROTEIN HYDROLYSATES HANS SCHWARZKOPF GMBH & CO. KG (DE) 2001-09-07 WO disclosed