SCHEMBL5017310

SCHEMBL5017310

C=Cc1cccc(OC(OCC)C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGS2 P35354 1/20 0.36
MAPT P10636 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
EPOR P19235 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
CHRM5 P08912 1/20 0.32
RELA Q04206 1/20 0.31
FBP1 P09467 1/20 0.30
CHRNA7 P36544 1/20 0.30
TLR4 O00206 1/20 0.30
TLR2 O60603 1/20 0.30
PPARG P37231 1/20 0.30

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
SCHEMBL409170 0.86 TP53 (0.42) TP53TDP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7776977 0.83 TP53 (0.42) TP53TDP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6693137 0.81 CHRNB2 (0.41) ALDH1A1PTGS2RELACHRNA7
SCHEMBL5017313 0.81 TP53 (0.40) TP53TDP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1355045 0.78 TP53 (0.40) TP53TDP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL411572 0.77 TP53 (0.48) TP53TDP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5023818 0.77 ALDH1A1 (0.39) TP53TDP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL27524551 0.77 MCHR1 (0.39) TP53TDP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL22201015 0.76 TP53 (0.44) TP53TDP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1357376 0.76 TP53 (0.47) TP53TDP1ALDH1A1PTGS2MAPT

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