SCHEMBL4914967

SCHEMBL4914967

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 3/20 0.31
ALDH1A1 P00352 2/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
TBXAS1 P24557 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
SCHEMBL2115695 0.93 TSHR (0.34) HSD17B10ALOX15TSHRALDH1A1TP53
SCHEMBL148736 0.93 TSHR (0.34) HSD17B10ALOX15TSHRALDH1A1TP53
SCHEMBL829914 0.93 ALOX15 (0.38) HSD17B10ALOX15TSHRALDH1A1TBXAS1
SCHEMBL2114652 0.87 ALDH1A1 (0.36) HSD17B10ALOX15TSHRALDH1A1TBXAS1
SCHEMBL2115013 0.85 ALDH1A1 (0.39) HSD17B10ALOX15TSHRALDH1A1TBXAS1
SCHEMBL2112669 0.85 ALDH1A1 (0.39) HSD17B10ALOX15TSHRALDH1A1TBXAS1
SCHEMBL687329 0.85 ALDH1A1 (0.39) HSD17B10ALOX15TSHRALDH1A1TBXAS1
SCHEMBL11126565 0.84 TSHR (0.39) HSD17B10ALOX15TSHRALDH1A1TP53
SCHEMBL2126123 0.81 ALDH1A1 (0.36) HSD17B10ALOX15TSHRALDH1A1TP53
SCHEMBL133164 0.81 ALOX15 (0.40) HSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090932-A1 Radiation curable inkjettable adhesive HEXION SPECIALTY CHEMICALS, INC. 2008-04-17 US disclosed