SCHEMBL6009517

SCHEMBL6009517

C=C(C)C(C(=C)C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
TP53 P04637 1/20 0.37
SLC7A5 Q01650 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
TGFBR1 P36897 1/20 0.34
HSD17B10 Q99714 1/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
TET2 Q6N021 3/20 0.31
TET3 O43151 1/20 0.31
TET1 Q8NFU7 1/20 0.31

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
SCHEMBL27501276 0.93 FFAR3 (0.38) FFAR3LCKFYNTP53SLC7A5
SCHEMBL19480464 0.77
SCHEMBL16674849 0.77
SCHEMBL16667095 0.76 TDP1 (0.37) FFAR3LCKFYNTDP1HSD17B10
SCHEMBL6235942 0.75 TDP1 (0.38) FFAR3LCKFYNTP53SLC7A5
SCHEMBL26629782 0.72 ALDH1A1 (0.35) TP53SLC7A5TDP1HSD17B10LMNA
SCHEMBL28523 0.72 FFAR3 (0.43) FFAR3LCKFYNTP53SLC7A5
SCHEMBL3621120 0.72 FFAR3 (0.43) FFAR3LCKFYNTP53SLC7A5
SCHEMBL269877 0.72 FFAR3 (0.43) FFAR3LCKFYNTP53SLC7A5
SCHEMBL6916401 0.71 TDP1 (0.35) FFAR3LCKFYNTP53SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006072119-A3 METHOD FOR ACYLATING A MATERIAL ESPECIALLY CONTAINING CELLULOSE AND/OR HEMICELLULOSE AND/OR LIGNIN, AND MATERIAL OBTAINED THEREBY UPPER AUSTRIAN RES GMBH (AT) 2006-08-31 WO disclosed
WO-2006072119-A2 METHOD FOR ACYLATING A MATERIAL ESPECIALLY CONTAINING CELLULOSE AND/OR HEMICELLULOSE AND/OR LIGNIN, AND MATERIAL OBTAINED THEREBY UPPER AUSTRIAN RESEARCH GMBH (AT) 2006-07-13 WO disclosed