SCHEMBL4402822

SCHEMBL4402822

C/C=C(\C)C(=O)C(=O)/C(C)=C/C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.36
THPO P40225 1/20 0.36
ALDH1A1 P00352 1/20 0.35
NFKB1 P19838 1/20 0.35
TRPA1 O75762 1/20 0.35
CA1 P00915 2/20 0.33
ALOX15 P16050 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
MAPT P10636 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
SCHEMBL276990 0.92 LMNA (0.39) FFAR3LCKFYNLMNATSHR
SCHEMBL11026124 0.92 LMNA (0.39) FFAR3LCKFYNLMNATSHR
SCHEMBL756363 0.92 LMNA (0.39) FFAR3LCKFYNLMNATSHR
SCHEMBL6024436 0.82
SCHEMBL3461461 0.82
SCHEMBL5081251 0.82
SCHEMBL9613532 0.79 FFAR3 (0.35) FFAR3LCKFYNMAPT
SCHEMBL11586713 0.79
SCHEMBL2737851 0.79 FFAR3 (0.35) FFAR3LCKFYNMAPT
Acetic Acid SCHEMBL11198361 0.77 FFAR3 (0.50) FFAR3LCKFYNLMNATSHR

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-8168307-B2 Organic compound, charge transport material and organic electroluminescent device PIONEER CORPORATION (JP) 2012-05-01 US disclosed