SCHEMBL5016969

SCHEMBL5016969

C=Cc1cccc(OC(CC)OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHRM5 P08912 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RELA Q04206 1/20 0.37
PTGS2 P35354 1/20 0.35
NFE2L2 Q16236 2/20 0.35
CHRNA7 P36544 1/20 0.35
CYP19A1 P11511 1/20 0.34
NQO2 P16083 1/20 0.34
FOS P01100 1/20 0.33
JUN P05412 1/20 0.33
TRPA1 O75762 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
SCHEMBL5942120 0.89 TP53 (0.39) TP53TDP1CYP3A4CYP2D6MAPT
SCHEMBL5017313 0.88 TP53 (0.40) TP53TDP1CYP3A4CYP2D6MAPT
SCHEMBL1360257 0.86 TP53 (0.39) TP53TDP1CYP3A4CYP2D6MAPT
SCHEMBL27509495 0.85 TP53 (0.38) TP53TDP1CYP3A4CYP2D6MAPT
SCHEMBL27490260 0.85 TP53 (0.38) TP53TDP1CYP3A4CYP2D6MAPT
SCHEMBL27800965 0.85 TP53 (0.38) TP53TDP1CYP3A4CYP2D6MAPT
SCHEMBL27509493 0.84 TP53 (0.37) TP53TDP1CYP3A4CYP2D6MAPT
SCHEMBL22201015 0.83 TP53 (0.44) TP53TDP1CYP3A4CYP2D6MAPT
SCHEMBL1357376 0.83 TP53 (0.47) TP53TDP1CYP3A4CYP2D6MAPT
SCHEMBL27491677 0.83 TLR4 (0.41) TP53TDP1CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423102-B2 Star polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-09 US disclosed
US-20060073411-A1 Chemically amplified resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-04-06 US disclosed
US-20060014913-A1 Star polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-01-19 US disclosed
US-20040191674-A1 Chemical amplification resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-09-30 US disclosed
US-6656660-B1 Resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-12-02 US disclosed
EP-1024406-A1 Resist composition WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 2000-08-02 EP disclosed