SCHEMBL3403671

SCHEMBL3403671

CC(C)COC(=O)c1ccc2ccc(C#N)c3c4c(C(=O)OCC(C)C)ccc5ccc(C#N)c(c1c23)c54

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
TSHR P16473 1/20 0.49
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
XDH P47989 6/20 0.41
SLC22A12 Q96S37 1/20 0.41
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ABCC4 O15439 1/20 0.35

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
SCHEMBL20867976 0.90 ALDH1A1 (0.56) ALDH1A1TSHRMAPTMEN1TP53
SCHEMBL30825187 0.85 ALDH1A1 (0.50) ALDH1A1TSHRMAPTMEN1TP53
SCHEMBL30424903 0.85 ALDH1A1 (0.50) ALDH1A1TSHRMAPTMEN1TP53
SCHEMBL27830758 0.85 XDH (0.50) ALDH1A1TSHRMAPTMEN1TP53
SCHEMBL30824994 0.85 ALDH1A1 (0.50) ALDH1A1TSHRMAPTMEN1TP53
SCHEMBL29450804 0.85 ALDH1A1 (0.50) ALDH1A1TSHRMAPTMEN1TP53
SCHEMBL893152 0.85 ALDH1A1 (0.50) ALDH1A1TSHRMAPTMEN1TP53
SCHEMBL20399449 0.85 ALDH1A1 (0.50) ALDH1A1TSHRMAPTMEN1TP53
SCHEMBL7045931 0.81 XDH (0.46) ALDH1A1TSHRMAPTMEN1TP53
SCHEMBL26082044 0.79 ALDH1A1 (0.43) ALDH1A1TSHRMAPTMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100294339-A1 photovoltaic device with a luminescent down-shifting material MIASOLE 2010-11-25 US disclosed
US-7176255-B2 Method for producing aqueous polymer dispersions containing colorants BASF AKTIENGESELLSCHAFT (DE) 2007-02-13 US disclosed
US-20050075453-A1 Method for producing aqueous polymer dispersions containing colorants BASF AKTIENGESELLSCHAF (DE) 2005-04-07 US disclosed
US-6727318-B1 EMULSION POLYMERIZATION OF ETHYLENICALLY UNSATURATED AND DYE-COMPRISING MONOMERS IN PRESENCE OF FREE-RADICAL INITIATORS BASF AKTIENGESELLSCHAFT (DE) 2004-04-27 US disclosed
EP-1054907-B1 METHOD FOR PRODUCING AQUEOUS POLYMER DISPERSIONS CONTAINING COLORANTS BASF AG (DE) 2004-04-14 EP disclosed
US-6541032-B1 Containing polymers in the form of an aqueous polymer dispersion or a polymer powder obtainable therefrom BASF AKTIENGESELLSCHAFT (DE) 2003-04-01 US disclosed
EP-1092416-A2 Use of free-flowing polymers PF incorporating dyes as colouring components in cosmetics BASF AKTIENGESELLSCHAFT (DE) 2001-04-18 EP disclosed