SCHEMBL3933085

SCHEMBL3933085

CCOC(COC)(OCC)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.38
ALOX15 P16050 2/20 0.36
MAPK1 P28482 1/20 0.35
KIF11 P52732 2/20 0.34
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.32
TK1 P04183 1/20 0.32
NR3C2 P08235 1/20 0.32
CES1 P23141 1/20 0.32

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
SCHEMBL28893285 0.84 MAPK1 (0.40) KCNN4ALOX15MAPK1KIF11EDNRB
SCHEMBL6293779 0.81 KCNN4 (0.42) KCNN4ALOX15MAPK1KIF11TAAR1
SCHEMBL5962153 0.81 KCNN4 (0.40) KCNN4ALOX15MAPK1KIF11TAAR1
SCHEMBL11477393 0.81 ESR1 (0.44) ALDH1A1CYP3A4LMNA
SCHEMBL479127 0.78 KCNN4 (0.38) KCNN4ALOX15MAPK1KIF11EDNRB
SCHEMBL3891423 0.78 KCNN4 (0.38) KCNN4ALOX15MAPK1KIF11EDNRB
SCHEMBL7606440 0.78 KCNN4 (0.38) KCNN4ALOX15MAPK1KIF11TAAR1
SCHEMBL4058230 0.78 TAAR1 (0.48) KCNN4MAPK1KIF11TAAR1
SCHEMBL3663149 0.76 CYP1A2 (0.45) KCNN4KIF11TAAR1ALDH1A1CYP3A4
SCHEMBL6755985 0.73 LTA4H (0.37) KCNN4KIF11CYP3A4CYP2D6MEN1

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-1432428-A1 Agent for colouring fibres containing keratin Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP claimed
WO-2003030842-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
WO-2019048974-A1 PROCESS FOR THE PREPARATION OF NINTEDANIB GLENMARK PHARMACEUTICALS LIMITED (IN) 2019-03-14 WO disclosed
WO-2009007307-A1 SELF-TANNING COMPOSITIONS WITH NATURAL TANNING EFFECT HENKEL AG & CO. KGAA (DE) 2009-01-15 WO disclosed
EP-1730049-A1 COSMETIC PORTION Henkel Kommanditgesellschaft auf Aktien (DE) 2006-12-13 EP disclosed
WO-2005085089-A1 COSMETIC PORTION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-09-15 WO disclosed
EP-1434552-A1 METHOD FOR DYEING KERATINOUS FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2004-07-07 EP disclosed
WO-2003030841-A1 METHOD FOR DYEING KERATINOUS FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO disclosed