SCHEMBL3978749

SCHEMBL3978749

C=COCC1(COC(=O)c2ccccc2)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 2/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 5/20 0.40
HIF1A Q16665 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 4/20 0.37
ATM Q13315 1/20 0.37
TSHR P16473 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5799937 0.91 ALDH1A1 (0.37) MAPK1NPSR1GAAPOLBKMT2A
SCHEMBL1713120 0.89 TDP1 (0.50) TDP1MAPK1NPSR1GAAPOLB
SCHEMBL11508409 0.81 TDP1 (0.46) TDP1MAPK1NPSR1GAAPOLB
SCHEMBL9269862 0.81 TDP1 (0.55) TDP1MAPK1GAAKMT2AHIF1A
SCHEMBL3984664 0.76 TDP1 (0.41) TDP1MAPK1NPSR1GAAPOLB
SCHEMBL3242904 0.74 MAOA (0.38) TDP1GAAKMT2AALDH1A1LMNA
SCHEMBL1785541 0.74 TDP1 (0.56) TDP1MAPK1NPSR1GAAPOLB
SCHEMBL17824393 0.74 PRKCA (0.45) LMNAPRKCA
SCHEMBL76665 0.73
SCHEMBL8496636 0.73 TDP1 (0.50) TDP1MAPK1GAAKMT2AHIF1A

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-3131980-A1 AQUEOUS RESIN BASED INKJET INKS Agfa Graphics NV (BE) 2017-02-22 EP disclosed
WO-2015158649-A1 AQUEOUS RESIN BASED INKJET INKS AGFA GRAPHICS NV (BE) 2015-10-22 WO disclosed
WO-2009053302-A1 INK JET PRINTING METHOD AND INK JET PRINTER ADAPTED FOR PRINTING A WHITE INK JET INK AGFA GRAPHICS NV (BE) 2009-04-30 WO disclosed
EP-1966322-A2 NAPHTHOL AS COLORANTS AND THEIR USE AGFA GRAPHICS NV (BE) 2008-09-10 EP disclosed
EP-1799771-A2 LIGHT ACTIVATED SHAPE MEMORY CO-POLYMERS CORNERSTONE RESEARCH GROUP, INC. (US) 2007-06-27 EP disclosed
WO-2007060261-A2 NAPHTHOL AS COLORANTS AND THEIR USE AGFA GRAPHICS NV (BE) 2007-05-31 WO disclosed
WO-2007001407-A2 LIGHT ACTIVATED SHAPE MEMORY CO-POLYMERS CORNERSTONE RESEARCH GROUP, INC. (US) 2007-01-04 WO disclosed
EP-1373339-A1 SHAPE MEMORY STYRENE COPOLYMER Johnson & Johnson Vision Care, Inc. (US) 2004-01-02 EP disclosed
WO-2002059170-A1 SHAPE MEMORY STYRENE COPOLYMER JOHNSON & JOHNSON VISION CARE, INC. (US) 2002-08-01 WO disclosed