SCHEMBL28051673

SCHEMBL28051673

CC(=CC(C=C(C)C(=O)O)=C(C=C(C)C(=O)O)C(=O)OCC(CO)(CO)CO)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL28582089 0.85
SCHEMBL28061590 0.80 ALDH1A1 (0.32) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL29098944 0.74 TSHR (0.46) ALDH1A1
SCHEMBL10357244 0.72 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL149736 0.72 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL194973 0.71 MAPK1 (0.45) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL336450 0.71 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Methacrylic Acid SCHEMBL2880115 0.69 ALDH1A1 (0.39) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Methacrylic Acid SCHEMBL4614167 0.68 TSHR (0.41) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Methacrylic Acid SCHEMBL4075755 0.68 TSHR (0.41) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2

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
CN-105652623-A An image forming device, a processing box and an image forming method 佳能株式会社 2016-06-08 CN disclosed